4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide

C245H249N49O44S15 — CID 158679312

IUPAC4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide
SMILESCc1nc2cccc3n2c1C=C(CCC(=O)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)S3.Nc1ccc(-c2ccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)cc2)cn1.Nc1ccc(-c2cccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)c2)cn1.Nc1nc(SCCCC(=O)NCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCS3(=O)=O)c2[nH]cnc2n1.O=C(CCC1=Cc2cnc3cccc(n23)S1)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2=O.O=C(CCCSc1ncnc2nc[nH]c12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C29H29N5O5S2.C28H27N5O5S2.2C28H27N5O5S.C28H26N4O5S.C27H29N5O5S2.C27H29N5O4S2.C25H28N8O5S2.C25H27N7O5S2/c1-19-22-18-21(40-25-11-5-10-23(31-19)34(22)25)12-13-24(35)30-14-6-15-32-27(36)26(20-8-3-2-4-9-20)28-33(29(32)37)16-7-17-41(28,38)39;34-23(12-11-21-17-20-18-30-22-9-4-10-24(39-21)33(20)22)29-13-5-14-31-26(35)25(19-7-2-1-3-8-19)27-32(28(31)36)15-6-16-40(27,37)38;29-23-12-11-22(18-31-23)20-9-4-10-21(17-20)25(34)30-13-5-14-32-26(35)24(19-7-2-1-3-8-19)27-33(28(32)36)15-6-16-39(27,37)38;29-23-13-12-22(18-31-23)19-8-10-21(11-9-19)25(34)30-14-4-15-32-26(35)24(20-6-2-1-3-7-20)27-33(28(32)36)16-5-17-39(27,37)38;33-25(22-12-10-20(11-13-22)23-9-4-14-29-19-23)30-15-5-16-31-26(34)24(21-7-2-1-3-8-21)27-32(28(31)35)17-6-18-38(27,36)37;33-22(11-5-18-38-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-39(26,36)37;33-22(11-5-18-37-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-38(26)36;26-24-30-20-19(28-15-29-20)21(31-24)39-13-4-9-17(34)27-10-5-11-32-22(35)18(16-7-2-1-3-8-16)23-33(25(32)36)12-6-14-40(23,37)38;33-18(9-4-13-38-22-20-21(28-15-27-20)29-16-30-22)26-10-5-11-31-23(34)19(17-7-2-1-3-8-17)24-32(25(31)35)12-6-14-39(24,36)37/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,30,35);1-4,7-10,17-18H,5-6,11-16H2,(H,29,34);1-4,7-12,17-18H,5-6,13-16H2,(H2,29,31)(H,30,34);1-3,6-13,18H,4-5,14-17H2,(H2,29,31)(H,30,34);1-4,7-14,19H,5-6,15-18H2,(H,30,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-3,7-8,15H,4-6,9-14H2,(H,27,34)(H3,26,28,29,30,31);1-3,7-8,15-16H,4-6,9-14H2,(H,26,33)(H,27,28,29,30)
InChIKeyIEXNTVKTMIYNMF-UHFFFAOYSA-N
MW5064.99 g/mol
LogP21.83
Rot. Bonds77

About 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide

4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide (PubChem CID 158679312) has the molecular formula C245H249N49O44S15 and a molecular weight of 5064.99 g/mol. Its IUPAC name is 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide.

Molecular Properties

Compound Name4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide
PubChem CID158679312
Molecular FormulaC245H249N49O44S15
Molecular Weight5064.99 g/mol
Exact Mass5060.46
IUPAC Name4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide
SMILESCc1nc2cccc3n2c1C=C(CCC(=O)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)S3.Nc1ccc(-c2ccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)cc2)cn1.Nc1ccc(-c2cccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)c2)cn1.Nc1nc(SCCCC(=O)NCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCS3(=O)=O)c2[nH]cnc2n1.O=C(CCC1=Cc2cnc3cccc(n23)S1)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2=O.O=C(CCCSc1ncnc2nc[nH]c12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C29H29N5O5S2.C28H27N5O5S2.2C28H27N5O5S.C28H26N4O5S.C27H29N5O5S2.C27H29N5O4S2.C25H28N8O5S2.C25H27N7O5S2/c1-19-22-18-21(40-25-11-5-10-23(31-19)34(22)25)12-13-24(35)30-14-6-15-32-27(36)26(20-8-3-2-4-9-20)28-33(29(32)37)16-7-17-41(28,38)39;34-23(12-11-21-17-20-18-30-22-9-4-10-24(39-21)33(20)22)29-13-5-14-31-26(35)25(19-7-2-1-3-8-19)27-32(28(31)36)15-6-16-40(27,37)38;29-23-12-11-22(18-31-23)20-9-4-10-21(17-20)25(34)30-13-5-14-32-26(35)24(19-7-2-1-3-8-19)27-33(28(32)36)15-6-16-39(27,37)38;29-23-13-12-22(18-31-23)19-8-10-21(11-9-19)25(34)30-14-4-15-32-26(35)24(20-6-2-1-3-7-20)27-33(28(32)36)16-5-17-39(27,37)38;33-25(22-12-10-20(11-13-22)23-9-4-14-29-19-23)30-15-5-16-31-26(34)24(21-7-2-1-3-8-21)27-32(28(31)35)17-6-18-38(27,36)37;33-22(11-5-18-38-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-39(26,36)37;33-22(11-5-18-37-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-38(26)36;26-24-30-20-19(28-15-29-20)21(31-24)39-13-4-9-17(34)27-10-5-11-32-22(35)18(16-7-2-1-3-8-16)23-33(25(32)36)12-6-14-40(23,37)38;33-18(9-4-13-38-22-20-21(28-15-27-20)29-16-30-22)26-10-5-11-31-23(34)19(17-7-2-1-3-8-17)24-32(25(31)35)12-6-14-39(24,36)37/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,30,35);1-4,7-10,17-18H,5-6,11-16H2,(H,29,34);1-4,7-12,17-18H,5-6,13-16H2,(H2,29,31)(H,30,34);1-3,6-13,18H,4-5,14-17H2,(H2,29,31)(H,30,34);1-4,7-14,19H,5-6,15-18H2,(H,30,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-3,7-8,15H,4-6,9-14H2,(H,27,34)(H3,26,28,29,30,31);1-3,7-8,15-16H,4-6,9-14H2,(H,26,33)(H,27,28,29,30)
InChIKeyIEXNTVKTMIYNMF-UHFFFAOYSA-N
XLogP21.83
TPSA1242.94 Ų
H-Bond Donors14
H-Bond Acceptors88
Rotatable Bonds77
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005064.99
LogP ≤ 521.83
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1088

Analyze 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide with MolForge

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What is the IUPAC name of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?
The IUPAC name of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide (CID 158679312) is 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide.
What is the SMILES notation for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?
The canonical SMILES for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide is Cc1nc2cccc3n2c1C=C(CCC(=O)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)S3.Nc1ccc(-c2ccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)cc2)cn1.Nc1ccc(-c2cccc(C(=O)NCCCn3c(=O)c(-c4ccccc4)c4n(c3=O)CCCS4(=O)=O)c2)cn1.Nc1nc(SCCCC(=O)NCCCn2c(=O)c(-c3ccccc3)c3n(c2=O)CCCS3(=O)=O)c2[nH]cnc2n1.O=C(CCC1=Cc2cnc3cccc(n23)S1)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(CCCSc1cccc2nccn12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2=O.O=C(CCCSc1ncnc2nc[nH]c12)NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O.O=C(NCCCn1c(=O)c(-c2ccccc2)c2n(c1=O)CCCS2(=O)=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?
The InChIKey is IEXNTVKTMIYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5S2.C28H27N5O5S2.2C28H27N5O5S.C28H26N4O5S.C27H29N5O5S2.C27H29N5O4S2.C25H28N8O5S2.C25H27N7O5S2/c1-19-22-18-21(40-25-11-5-10-23(31-19)34(22)25)12-13-24(35)30-14-6-15-32-27(36)26(20-8-3-2-4-9-20)28-33(29(32)37)16-7-17-41(28,38)39;34-23(12-11-21-17-20-18-30-22-9-4-10-24(39-21)33(20)22)29-13-5-14-31-26(35)25(19-7-2-1-3-8-19)27-32(28(31)36)15-6-16-40(27,37)38;29-23-12-11-22(18-31-23)20-9-4-10-21(17-20)25(34)30-13-5-14-32-26(35)24(19-7-2-1-3-8-19)27-33(28(32)36)15-6-16-39(27,37)38;29-23-13-12-22(18-31-23)19-8-10-21(11-9-19)25(34)30-14-4-15-32-26(35)24(20-6-2-1-3-7-20)27-33(28(32)36)16-5-17-39(27,37)38;33-25(22-12-10-20(11-13-22)23-9-4-14-29-19-23)30-15-5-16-31-26(34)24(21-7-2-1-3-8-21)27-32(28(31)35)17-6-18-38(27,36)37;33-22(11-5-18-38-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-39(26,36)37;33-22(11-5-18-37-23-12-4-10-21-28-14-17-30(21)23)29-13-6-15-31-25(34)24(20-8-2-1-3-9-20)26-32(27(31)35)16-7-19-38(26)36;26-24-30-20-19(28-15-29-20)21(31-24)39-13-4-9-17(34)27-10-5-11-32-22(35)18(16-7-2-1-3-8-16)23-33(25(32)36)12-6-14-40(23,37)38;33-18(9-4-13-38-22-20-21(28-15-27-20)29-16-30-22)26-10-5-11-31-23(34)19(17-7-2-1-3-8-17)24-32(25(31)35)12-6-14-39(24,36)37/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,30,35);1-4,7-10,17-18H,5-6,11-16H2,(H,29,34);1-4,7-12,17-18H,5-6,13-16H2,(H2,29,31)(H,30,34);1-3,6-13,18H,4-5,14-17H2,(H2,29,31)(H,30,34);1-4,7-14,19H,5-6,15-18H2,(H,30,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-4,8-10,12,14,17H,5-7,11,13,15-16,18-19H2,(H,29,33);1-3,7-8,15H,4-6,9-14H2,(H,27,34)(H3,26,28,29,30,31);1-3,7-8,15-16H,4-6,9-14H2,(H,26,33)(H,27,28,29,30).
What are the key properties of 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide?
4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide has a molecular weight of 5064.99 g/mol, XLogP of 21.83, 77 rotatable bonds, 14 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7H-purin-6-yl)sulfanyl]-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-(6-amino-3-pyridinyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-imidazo[1,2-a]pyridin-5-ylsulfanyl-N-[3-(1,6,8-trioxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;3-(3-methyl-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]propanamide;4-(7H-purin-6-ylsulfanyl)-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]butanamide;4-pyridin-3-yl-N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]benzamide;N-[3-(1,1,6,8-tetraoxo-9-phenyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-yl)propyl]-3-(7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaen-6-yl)propanamide is sourced from PubChem (CID 158679312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).