2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate

C189H270Cl19N39O16 — CID 165032808

IUPAC2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate
SMILESC=C(Cn1cnc2c(Cl)nc(Cl)nc21)OCC.CC(=O)CCCCCCCCCCCCCCCn1cnc2c(Cl)nc(Cl)nc21.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCC(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(=O)OCc1ccc(OC)cc1)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1ccc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCOC(=O)CCCCCCCn1cnc2nc(Cl)nc(Cl)c21.COC(=O)CCCCCCn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C29H40Cl2N4O3.C23H35Cl2N3O.2C22H34Cl2N4O.C22H35ClN4O2.C17H24Cl2N4O2.C16H22Cl2N4O.C15H20Cl2N4O2.C13H16Cl2N4O2.C10H10Cl2N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28(36)38-20-22-16-18-23(37-2)19-17-22)35-21-32-25-26(30)33-29(31)34-27(25)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(18(2)29)28-17-16-19-21(24)26-23(25)27-22(19)28;1-18(29)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-28-17-25-19-20(23)26-22(24)27-21(19)28;1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(17(2)29)28-16-25-19-20(23)26-22(24)27-21(19)28;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-3-5-6-7-8-9-10-12(16(24)25-4-2)23-11-20-13-14(18)21-17(19)22-15(13)23;1-3-4-5-6-7-8-9-12(11(2)23)22-10-19-13-14(17)20-16(18)21-15(13)22;1-2-23-11(22)8-6-4-3-5-7-9-21-10-18-14-12(21)13(16)19-15(17)20-14;1-21-9(20)6-4-2-3-5-7-19-8-16-12-10(19)11(14)17-13(15)18-12;1-3-17-6(2)4-16-5-13-7-8(11)14-10(12)15-9(7)16/h16-19,21,24H,3-15,20H2,1-2H3;16-17,20H,3-15H2,1-2H3;17H,2-16H2,1H3;16,18H,3-15H2,1-2H3;17H,2-16H2,1H3,(H,25,26,29);11-12H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;10H,2-9H2,1H3;8H,2-7H2,1H3;5H,2-4H2,1H3
InChIKeyMXSBHEFVSXRMMT-UHFFFAOYSA-N
MW4018.10 g/mol
LogP56.82
Rot. Bonds119

About 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate

2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate (PubChem CID 165032808) has the molecular formula C189H270Cl19N39O16 and a molecular weight of 4018.10 g/mol. Its IUPAC name is 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate.

Molecular Properties

Compound Name2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate
PubChem CID165032808
Molecular FormulaC189H270Cl19N39O16
Molecular Weight4018.10 g/mol
Exact Mass4006.56
IUPAC Name2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate
SMILESC=C(Cn1cnc2c(Cl)nc(Cl)nc21)OCC.CC(=O)CCCCCCCCCCCCCCCn1cnc2c(Cl)nc(Cl)nc21.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCC(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(=O)OCc1ccc(OC)cc1)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1ccc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCOC(=O)CCCCCCCn1cnc2nc(Cl)nc(Cl)c21.COC(=O)CCCCCCn1cnc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C29H40Cl2N4O3.C23H35Cl2N3O.2C22H34Cl2N4O.C22H35ClN4O2.C17H24Cl2N4O2.C16H22Cl2N4O.C15H20Cl2N4O2.C13H16Cl2N4O2.C10H10Cl2N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28(36)38-20-22-16-18-23(37-2)19-17-22)35-21-32-25-26(30)33-29(31)34-27(25)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(18(2)29)28-17-16-19-21(24)26-23(25)27-22(19)28;1-18(29)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-28-17-25-19-20(23)26-22(24)27-21(19)28;1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(17(2)29)28-16-25-19-20(23)26-22(24)27-21(19)28;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-3-5-6-7-8-9-10-12(16(24)25-4-2)23-11-20-13-14(18)21-17(19)22-15(13)23;1-3-4-5-6-7-8-9-12(11(2)23)22-10-19-13-14(17)20-16(18)21-15(13)22;1-2-23-11(22)8-6-4-3-5-7-9-21-10-18-14-12(21)13(16)19-15(17)20-14;1-21-9(20)6-4-2-3-5-7-19-8-16-12-10(19)11(14)17-13(15)18-12;1-3-17-6(2)4-16-5-13-7-8(11)14-10(12)15-9(7)16/h16-19,21,24H,3-15,20H2,1-2H3;16-17,20H,3-15H2,1-2H3;17H,2-16H2,1H3;16,18H,3-15H2,1-2H3;17H,2-16H2,1H3,(H,25,26,29);11-12H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;10H,2-9H2,1H3;8H,2-7H2,1H3;5H,2-4H2,1H3
InChIKeyMXSBHEFVSXRMMT-UHFFFAOYSA-N
XLogP56.82
TPSA652.09 Ų
H-Bond Donors1
H-Bond Acceptors54
Rotatable Bonds119
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004018.10
LogP ≤ 556.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate with MolForge

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Related Compounds

6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;(2S)-1-[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]-2,3-dihydroindole-2-carboxylic acid;N-cyclopropyl-6-[(2S)-2-(hydroxymethyl)-2,3-dihydroindol-1-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;bis(N-cyclopropyl-6-indol-1-yl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide);N-cyclopropyl-6-indol-1-yl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;[(2S)-2,3-dihydro-1H-indol-2-yl]methanol;methane;4-methyl-4-oxidomorpholin-4-ium
CID 157664136
2-chloro-8-cyclopentyl-1-(2-methylpropyl)-7-(2-trimethylsilylethoxymethyl)purin-6-one;2-chloro-8-cyclopentyl-7-(2-trimethylsilylethoxymethyl)-1H-purin-6-one;cyclopentanecarboxylic acid;6-cyclopentyl-3-(2-methylpropyl)-2-[(2-methyl-3-pyridinyl)oxy]-5H-pyrrolo[2,3-d]pyrimidin-4-one;8-cyclopentyl-1-(2-methylpropyl)-2-[(2-methyl-3-pyridinyl)oxy]-7-(2-trimethylsilylethoxymethyl)purin-6-one;5,6-diamino-1H-pyrimidine-2,4-dione;2-[(2,6-dichloro-8-cyclopentylpurin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-6-cyclopentyl-5H-pyrrolo[2,3-d]pyrimidine
CID 157813592
1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;bis(methyl 5-aminopyrazine-2-carboxylate);methyl 5-chloropyrazine-2-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylate;methyl 5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrazine-2-carboxylate;pyridin-2-amine
CID 159453878
2-amino-9-[2-[[methyl(phenylmethoxy)phosphoryl]methoxy]ethyl]-1H-purin-6-one;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
CID 161283680
N-(2-chloro-6-methylphenyl)-2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-(2-chloro-6-methylphenyl)-3-methyl-2-[[4-(4-methylpiperazin-1-yl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]imidazole-4-carboxamide;N-cyclopropyl-2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxamide;2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3-methyl-N-phenylimidazole-4-carboxamide;ethyl 2-[[4-ethyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylimidazole-4-carboxylate
CID 162146159
2-chloro-7-hexadecylpurin-6-amine;6-chloro-7-hexadecylpurin-2-amine;2-chloro-7-hexadecylpurine;6-chloro-7-hexadecylpurine;2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-7-hexadecylpurine;2,4-dichloro-5-hexadecylpyrrolo[3,2-d]pyrimidine;2,6-dichloro-7-(11-methoxydodec-11-enyl)purine;ethyl 2-(2,6-dichloropurin-7-yl)acetate;7-hexadecylpurine
CID 165017888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate?
The IUPAC name of 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate (CID 165032808) is 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate.
What is the SMILES notation for 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate?
The canonical SMILES for 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate is C=C(Cn1cnc2c(Cl)nc(Cl)nc21)OCC.CC(=O)CCCCCCCCCCCCCCCn1cnc2c(Cl)nc(Cl)nc21.CC(=O)CCCCCCCCCCCCCCCn1cnc2nc(Cl)[nH]c(=O)c21.CCCCCCCCC(C(=O)OCC)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(=O)OCc1ccc(OC)cc1)n1cnc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1ccc2c(Cl)nc(Cl)nc21.CCCCCCCCCCCCCCC(C(C)=O)n1cnc2c(Cl)nc(Cl)nc21.CCOC(=O)CCCCCCCn1cnc2nc(Cl)nc(Cl)c21.COC(=O)CCCCCCn1cnc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate?
The InChIKey is MXSBHEFVSXRMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Cl2N4O3.C23H35Cl2N3O.2C22H34Cl2N4O.C22H35ClN4O2.C17H24Cl2N4O2.C16H22Cl2N4O.C15H20Cl2N4O2.C13H16Cl2N4O2.C10H10Cl2N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28(36)38-20-22-16-18-23(37-2)19-17-22)35-21-32-25-26(30)33-29(31)34-27(25)35;1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(18(2)29)28-17-16-19-21(24)26-23(25)27-22(19)28;1-18(29)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-28-17-25-19-20(23)26-22(24)27-21(19)28;1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(17(2)29)28-16-25-19-20(23)26-22(24)27-21(19)28;1-18(28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-27-17-24-20-19(27)21(29)26-22(23)25-20;1-3-5-6-7-8-9-10-12(16(24)25-4-2)23-11-20-13-14(18)21-17(19)22-15(13)23;1-3-4-5-6-7-8-9-12(11(2)23)22-10-19-13-14(17)20-16(18)21-15(13)22;1-2-23-11(22)8-6-4-3-5-7-9-21-10-18-14-12(21)13(16)19-15(17)20-14;1-21-9(20)6-4-2-3-5-7-19-8-16-12-10(19)11(14)17-13(15)18-12;1-3-17-6(2)4-16-5-13-7-8(11)14-10(12)15-9(7)16/h16-19,21,24H,3-15,20H2,1-2H3;16-17,20H,3-15H2,1-2H3;17H,2-16H2,1H3;16,18H,3-15H2,1-2H3;17H,2-16H2,1H3,(H,25,26,29);11-12H,3-10H2,1-2H3;10,12H,3-9H2,1-2H3;10H,2-9H2,1H3;8H,2-7H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate?
2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate has a molecular weight of 4018.10 g/mol, XLogP of 56.82, 119 rotatable bonds, 1 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(16-oxoheptadecyl)-1H-purin-6-one;2,6-dichloro-9-(2-ethoxyprop-2-enyl)purine;3-(2,6-dichloropurin-9-yl)heptadecan-2-one;17-(2,6-dichloropurin-9-yl)heptadecan-2-one;3-(2,6-dichloropurin-9-yl)undecan-2-one;3-(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)heptadecan-2-one;ethyl 2-(2,6-dichloropurin-9-yl)decanoate;ethyl 8-(2,6-dichloropurin-7-yl)octanoate;(4-methoxyphenyl)methyl 2-(2,6-dichloropurin-9-yl)hexadecanoate;methyl 7-(2,6-dichloropurin-7-yl)heptanoate is sourced from PubChem (CID 165032808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).