2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide

C167H232N66O30S15 — CID 159593693

IUPAC2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide
SMILESC=CN(CCSCCN(CCSCCN(CCSC)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)CN1C=C(C)C(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)CN1C=CC(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C35H49N9O8S3.C34H44N18O6S3.C34H44N18O3S3.C32H52N12O5S3.C32H43N9O8S3/c1-7-39(28(45)21-42-18-24(2)31(48)36-27(42)5)9-14-54-16-11-41(30(47)23-44-20-26(4)33(50)38-35(44)52)12-17-55-15-10-40(8-13-53-6)29(46)22-43-19-25(3)32(49)37-34(43)51;1-3-47(20(53)14-50-17-38-23-26(50)41-32(35)44-29(23)56)5-10-60-12-7-49(22(55)16-52-19-40-25-28(52)43-34(37)46-31(25)58)8-13-61-11-6-48(4-9-59-2)21(54)15-51-18-39-24-27(51)42-33(36)45-30(24)57;1-3-47(23(53)14-50-20-44-26-29(35)38-17-41-32(26)50)5-10-57-12-7-49(25(55)16-52-22-46-28-31(37)40-19-43-34(28)52)8-13-58-11-6-48(4-9-56-2)24(54)15-51-21-45-27-30(36)39-18-42-33(27)51;1-4-39(28(45)21-42-8-5-25(33)36-24(42)2)12-17-51-19-14-41(30(47)23-44-10-7-27(35)38-32(44)49)15-20-52-18-13-40(11-16-50-3)29(46)22-43-9-6-26(34)37-31(43)48;1-4-36(28(45)21-39-8-5-25(42)33-24(39)2)12-17-51-19-14-38(30(47)23-41-10-7-27(44)35-32(41)49)15-20-52-18-13-37(11-16-50-3)29(46)22-40-9-6-26(43)34-31(40)48/h7,18-20H,1,5,8-17,21-23H2,2-4,6H3,(H,36,48)(H,37,49,51)(H,38,50,52);3,17-19H,1,4-16H2,2H3,(H3,35,41,44,56)(H3,36,42,45,57)(H3,37,43,46,58);3,17-22H,1,4-16H2,2H3,(H2,35,38,41)(H2,36,39,42)(H2,37,40,43);4-10,25-27,36H,1-2,11-23,33-35H2,3H3,(H,37,48)(H,38,49);4-10H,1-2,11-23H2,3H3,(H,33,42)(H,34,43,48)(H,35,44,49)
InChIKeyMKOCTSFJFMTTRS-UHFFFAOYSA-N
MW4125.13 g/mol
LogP-2.50
Rot. Bonds110

About 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide

2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide (PubChem CID 159593693) has the molecular formula C167H232N66O30S15 and a molecular weight of 4125.13 g/mol. Its IUPAC name is 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide
PubChem CID159593693
Molecular FormulaC167H232N66O30S15
Molecular Weight4125.13 g/mol
Exact Mass4121.45
IUPAC Name2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide
SMILESC=CN(CCSCCN(CCSCCN(CCSC)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)CN1C=C(C)C(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)CN1C=CC(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21
InChIInChI=1S/C35H49N9O8S3.C34H44N18O6S3.C34H44N18O3S3.C32H52N12O5S3.C32H43N9O8S3/c1-7-39(28(45)21-42-18-24(2)31(48)36-27(42)5)9-14-54-16-11-41(30(47)23-44-20-26(4)33(50)38-35(44)52)12-17-55-15-10-40(8-13-53-6)29(46)22-43-19-25(3)32(49)37-34(43)51;1-3-47(20(53)14-50-17-38-23-26(50)41-32(35)44-29(23)56)5-10-60-12-7-49(22(55)16-52-19-40-25-28(52)43-34(37)46-31(25)58)8-13-61-11-6-48(4-9-59-2)21(54)15-51-18-39-24-27(51)42-33(36)45-30(24)57;1-3-47(23(53)14-50-20-44-26-29(35)38-17-41-32(26)50)5-10-57-12-7-49(25(55)16-52-22-46-28-31(37)40-19-43-34(28)52)8-13-58-11-6-48(4-9-56-2)24(54)15-51-21-45-27-30(36)39-18-42-33(27)51;1-4-39(28(45)21-42-8-5-25(33)36-24(42)2)12-17-51-19-14-41(30(47)23-44-10-7-27(35)38-32(44)49)15-20-52-18-13-40(11-16-50-3)29(46)22-43-9-6-26(34)37-31(43)48;1-4-36(28(45)21-39-8-5-25(42)33-24(39)2)12-17-51-19-14-38(30(47)23-41-10-7-27(44)35-32(41)49)15-20-52-18-13-37(11-16-50-3)29(46)22-40-9-6-26(43)34-31(40)48/h7,18-20H,1,5,8-17,21-23H2,2-4,6H3,(H,36,48)(H,37,49,51)(H,38,50,52);3,17-19H,1,4-16H2,2H3,(H3,35,41,44,56)(H3,36,42,45,57)(H3,37,43,46,58);3,17-22H,1,4-16H2,2H3,(H2,35,38,41)(H2,36,39,42)(H2,37,40,43);4-10,25-27,36H,1-2,11-23,33-35H2,3H3,(H,37,48)(H,38,49);4-10H,1-2,11-23H2,3H3,(H,33,42)(H,34,43,48)(H,35,44,49)
InChIKeyMKOCTSFJFMTTRS-UHFFFAOYSA-N
XLogP-2.50
TPSA1224.41 Ų
H-Bond Donors21
H-Bond Acceptors83
Rotatable Bonds110
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004125.13
LogP ≤ 5-2.50
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1083

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 52950076
2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]acetic acid
CID 52944123
N-[2-[[2-[2-[[2-[2-aminoethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxoethyl)amino]ethylamino]-2-oxoethyl]acetamide
CID 136734848
CID 24901720
CID 24901720
S-[3-[(3-amino-3-oxopropyl)amino]-3-oxopropyl] 2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]ethyl]amino]acetyl]amino]ethyl]amino]acetyl]amino]ethyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethanethioate
CID 177396474
N-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl]-2-(4-amino-2-oxopyrimidin-1-yl)-N-(2-oxoethyl)acetamide
CID 155359347
2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-aminopropyl]amino]acetic acid
CID 137348200
(2S)-6-amino-2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]pent-4-ynoylamino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]hexanamide
CID 44552349
N-(2-aminoethyl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-(2-oxobutyl)amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-2-(4-amino-2-oxopyrimidin-1-yl)acetamide
CID 174352182
2-amino-9-prop-2-enyl-1H-purin-6-one;4-amino-1-prop-2-enylpyrimidin-2-one;4-ethenyl-N-[2-(methylcarbamoylamino)pyrimidin-4-yl]benzamide;1-[(4-ethenylphenyl)methyl]-5-methylpyrimidine-2,4-dione;5-methyl-1-prop-2-enylpyrimidine-2,4-dione;9-prop-2-enylpurin-6-amine;1-prop-2-enylpyrimidine-2,4-dione
CID 157430970
(2S)-6-amino-2-[3-[[(2S)-5-[[(2S)-5-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[(2S)-5-[[(2S)-5-[[(2S)-5-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[(2S)-5-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[(2S)-3-[2-(2-hydroxyethoxy)ethoxy]-2-methylpropyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]-[2-(6-oxo-1H-purin-9-yl)acetyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]-[2-(6-oxo-1H-purin-9-yl)acetyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]-2-[2-(2-hydroxyethoxy)ethoxymethyl]-4-oxopentyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]-2-oxopropyl]hexanamide
CID 160724119
N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(3-methyl-2-oxobutyl)amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-[(E)-3-oxo-3-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)prop-1-enyl]benzamide;N-[2-[[2-[2-[[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-3-methylidene-4-oxocyclohexa-1,5-diene-1-carboxamide
CID 159684623

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide (CID 159593693) is 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide is C=CN(CCSCCN(CCSCCN(CCSC)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=O)C(=O)CN1C=CC(N)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)CN1C=C(C)C(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Cn1ccc(=O)[nH]c1=O)C(=O)CN1C=CC(=O)NC1=C.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21.C=CN(CCSCCN(CCSCCN(CCSC)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide?
The InChIKey is MKOCTSFJFMTTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N9O8S3.C34H44N18O6S3.C34H44N18O3S3.C32H52N12O5S3.C32H43N9O8S3/c1-7-39(28(45)21-42-18-24(2)31(48)36-27(42)5)9-14-54-16-11-41(30(47)23-44-20-26(4)33(50)38-35(44)52)12-17-55-15-10-40(8-13-53-6)29(46)22-43-19-25(3)32(49)37-34(43)51;1-3-47(20(53)14-50-17-38-23-26(50)41-32(35)44-29(23)56)5-10-60-12-7-49(22(55)16-52-19-40-25-28(52)43-34(37)46-31(25)58)8-13-61-11-6-48(4-9-59-2)21(54)15-51-18-39-24-27(51)42-33(36)45-30(24)57;1-3-47(23(53)14-50-20-44-26-29(35)38-17-41-32(26)50)5-10-57-12-7-49(25(55)16-52-22-46-28-31(37)40-19-43-34(28)52)8-13-58-11-6-48(4-9-56-2)24(54)15-51-21-45-27-30(36)39-18-42-33(27)51;1-4-39(28(45)21-42-8-5-25(33)36-24(42)2)12-17-51-19-14-41(30(47)23-44-10-7-27(35)38-32(44)49)15-20-52-18-13-40(11-16-50-3)29(46)22-43-9-6-26(34)37-31(43)48;1-4-36(28(45)21-39-8-5-25(42)33-24(39)2)12-17-51-19-14-38(30(47)23-41-10-7-27(44)35-32(41)49)15-20-52-18-13-37(11-16-50-3)29(46)22-40-9-6-26(43)34-31(40)48/h7,18-20H,1,5,8-17,21-23H2,2-4,6H3,(H,36,48)(H,37,49,51)(H,38,50,52);3,17-19H,1,4-16H2,2H3,(H3,35,41,44,56)(H3,36,42,45,57)(H3,37,43,46,58);3,17-22H,1,4-16H2,2H3,(H2,35,38,41)(H2,36,39,42)(H2,37,40,43);4-10,25-27,36H,1-2,11-23,33-35H2,3H3,(H,37,48)(H,38,49);4-10H,1-2,11-23H2,3H3,(H,33,42)(H,34,43,48)(H,35,44,49).
What are the key properties of 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide?
2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide has a molecular weight of 4125.13 g/mol, XLogP of -2.50, 110 rotatable bonds, 21 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methylidene-1,6-dihydropyrimidin-3-yl)-N-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-[2-[2-[[2-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenylacetamide;2-(2-amino-6-oxo-1H-purin-9-yl)-N-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[2-[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;2-(6-aminopurin-9-yl)-N-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-[2-[2-[[2-(6-aminopurin-9-yl)acetyl]-ethenylamino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-(2-methylsulfanylethyl)acetamide;N-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-N-ethenyl-2-(2-methylidene-4-oxopyrimidin-1-yl)acetamide;N-ethenyl-N-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-methylsulfanylethyl)amino]ethylsulfanyl]ethyl]amino]ethylsulfanyl]ethyl]-2-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 159593693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).