2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

C98H93N27O15S4 — CID 162134049

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O
InChIInChI=1S/C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N5O3S.C18H17N7O3/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26)
InChIKeyZJAODIMCELKXMM-UHFFFAOYSA-N
MW2017.26 g/mol
LogP8.16
Rot. Bonds26

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (PubChem CID 162134049) has the molecular formula C98H93N27O15S4 and a molecular weight of 2017.26 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
PubChem CID162134049
Molecular FormulaC98H93N27O15S4
Molecular Weight2017.26 g/mol
Exact Mass2015.62
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O
InChIInChI=1S/C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N5O3S.C18H17N7O3/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26)
InChIKeyZJAODIMCELKXMM-UHFFFAOYSA-N
XLogP8.16
TPSA474.14 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.26
LogP ≤ 58.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione with MolForge

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Related Compounds

2-[1-[[4-[4-[6-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-3-pyridinyl]piperazine-1-carbonyl]-2-fluorophenyl]methyl]-3-methyl-2,6-dioxopurin-7-yl]-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 135163420
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-[3-fluoro-4-[[3-methyl-2,6-dioxo-7-[2-oxo-2-[[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]ethyl]purin-1-yl]methyl]benzoyl]piperazin-1-yl]-2-pyridinyl]acetamide
CID 142385461
6-(4-cyclopenta-1,4-dien-1-yl-2-methylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 157062439
2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide
CID 158559913
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxo-8-phenylpurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 158591116
Methane;6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1,3-thiazol-4-yl)pyrimidin-4-yl]-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 159215836
N-cyclooctyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2,3-difluoro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylcyclohexyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 159999777
8-[2-(Dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpyrrolidin-3-yl)anilino]-6-[2-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-methyl-6-thiophen-3-yl-3-pyridinyl)-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 160278728
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-(1,3-diethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;2-[8-(dimethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;2-[1,3-dimethyl-2,6-dioxo-8-(trifluoromethyl)purin-7-yl]-N-(4-thiophen-3-ylphenyl)acetamide;1,3-dimethyl-8-phenyl-7-[2-(4-thiophen-3-ylanilino)ethyl]purine-2,6-dione;2-(2,6-dioxo-3H-purin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide
CID 160386005
8-[(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-ethylpurine-2,6-dione;3-ethyl-7-[(4-imidazol-1-ylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione;3-ethyl-7-[[4-(2-oxopropyl)phenyl]methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione;3-ethyl-7-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
CID 161247676
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;4-[6-amino-9-[3-[methyl(prop-2-enoyl)amino]phenyl]-8-oxopurin-7-yl]-N-pyridin-2-ylbenzamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-(1,3-thiazol-2-yl)acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]purin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 161734112
(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrazin-2-yl]-2-[1-(isocyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[6-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-2-pyridinyl]-2-[1-(cyanomethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2,2,2-trifluoroethyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(3,3,3-trifluoropropyl)purin-7-yl]propanamide;N-[6-(3,4-difluorophenyl)-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]acetamide;molecular hydrogen
CID 162126002

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione (CID 162134049) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-n3ccnc3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3cccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCC(=O)Cc2ccc(-c3nccs3)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(-c3nccs3)cc2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
The InChIKey is ZJAODIMCELKXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S.C20H20N6O3S.C20H19N5O3S.C19H17N5O3S.C18H17N7O3/c1-23-19-18(20(27)24(2)21(23)28)25(13-22-19)10-9-16(26)12-14-5-7-15(8-6-14)17-4-3-11-29-17;1-24-17-16(19(28)25(2)20(24)29)26(12-22-17)10-3-4-15(27)23-14-7-5-13(6-8-14)18-21-9-11-30-18;1-23-17-16(19(27)24(2)20(23)28)25(12-22-17)9-7-15(26)11-13-3-5-14(6-4-13)18-21-8-10-29-18;1-22-17-16(18(26)23(2)19(22)27)24(11-20-17)10-15(25)21-13-7-5-12(6-8-13)14-4-3-9-28-14;1-22-16-15(17(27)23(2)18(22)28)25(11-20-16)9-14(26)21-12-3-5-13(6-4-12)24-8-7-19-10-24/h3-8,11,13H,9-10,12H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,23,27);3-6,8,10,12H,7,9,11H2,1-2H3;3-9,11H,10H2,1-2H3,(H,21,25);3-8,10-11H,9H2,1-2H3,(H,21,26).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione has a molecular weight of 2017.26 g/mol, XLogP of 8.16, 26 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-imidazol-1-ylphenyl)acetamide;4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-2-ylphenyl)acetamide;1,3-dimethyl-7-[3-oxo-4-[4-(1,3-thiazol-2-yl)phenyl]butyl]purine-2,6-dione;1,3-dimethyl-7-[3-oxo-4-(4-thiophen-2-ylphenyl)butyl]purine-2,6-dione is sourced from PubChem (CID 162134049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).