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

C127H117F3N32O19S6 — CID 158559913

IUPAC2-(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
SMILESCCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(CC)c1=O.CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1ccc(-c2ccsc2)cc1.Cn1c(=O)c2c(nc(-c3ccccc3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(C(F)(F)F)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H21N5O3S.C23H24N6O4S.C21H22N6O3S.C21H21N5O3S.C20H16F3N5O3S.C17H13N5O3S/c1-28-23-21(24(32)29(2)25(28)33)30(22(27-23)17-6-4-3-5-7-17)14-20(31)26-19-10-8-16(9-11-19)18-12-13-34-15-18;1-26-20-19(21(31)27(2)23(26)32)29(22(25-20)28-8-10-33-11-9-28)13-18(30)24-17-5-3-15(4-6-17)16-7-12-34-14-16;1-24(2)20-23-18-17(19(29)26(4)21(30)25(18)3)27(20)11-16(28)22-15-7-5-13(6-8-15)14-9-10-31-12-14;1-3-25-19-18(20(28)26(4-2)21(25)29)24(13-22-19)11-17(27)23-16-7-5-14(6-8-16)15-9-10-30-12-15;1-26-16-15(17(30)27(2)19(26)31)28(18(25-16)20(21,22)23)9-14(29)24-13-5-3-11(4-6-13)12-7-8-32-10-12;23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h3-13,15H,14H2,1-2H3,(H,26,31);3-7,12,14H,8-11,13H2,1-2H3,(H,24,30);5-10,12H,11H2,1-4H3,(H,22,28);5-10,12-13H,3-4,11H2,1-2H3,(H,23,27);3-8,10H,9H2,1-2H3,(H,24,29);1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25)
InChIKeyHQTFSDQDVOIFRX-UHFFFAOYSA-N
MW2644.93 g/mol
LogP14.34
Rot. Bonds29

About 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

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 (PubChem CID 158559913) has the molecular formula C127H117F3N32O19S6 and a molecular weight of 2644.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158559913
Molecular FormulaC127H117F3N32O19S6
Molecular Weight2644.93 g/mol
Exact Mass2642.74
IUPAC Name2-(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
SMILESCCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(CC)c1=O.CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1ccc(-c2ccsc2)cc1.Cn1c(=O)c2c(nc(-c3ccccc3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(C(F)(F)F)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H21N5O3S.C23H24N6O4S.C21H22N6O3S.C21H21N5O3S.C20H16F3N5O3S.C17H13N5O3S/c1-28-23-21(24(32)29(2)25(28)33)30(22(27-23)17-6-4-3-5-7-17)14-20(31)26-19-10-8-16(9-11-19)18-12-13-34-15-18;1-26-20-19(21(31)27(2)23(26)32)29(22(25-20)28-8-10-33-11-9-28)13-18(30)24-17-5-3-15(4-6-17)16-7-12-34-14-16;1-24(2)20-23-18-17(19(29)26(4)21(30)25(18)3)27(20)11-16(28)22-15-7-5-13(6-8-15)14-9-10-31-12-14;1-3-25-19-18(20(28)26(4-2)21(25)29)24(13-22-19)11-17(27)23-16-7-5-14(6-8-16)15-9-10-30-12-15;1-26-16-15(17(30)27(2)19(26)31)28(18(25-16)20(21,22)23)9-14(29)24-13-5-3-11(4-6-13)12-7-8-32-10-12;23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h3-13,15H,14H2,1-2H3,(H,26,31);3-7,12,14H,8-11,13H2,1-2H3,(H,24,30);5-10,12H,11H2,1-4H3,(H,22,28);5-10,12-13H,3-4,11H2,1-2H3,(H,23,27);3-8,10H,9H2,1-2H3,(H,24,29);1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25)
InChIKeyHQTFSDQDVOIFRX-UHFFFAOYSA-N
XLogP14.34
TPSA582.95 Ų
H-Bond Donors8
H-Bond Acceptors49
Rotatable Bonds29
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002644.93
LogP ≤ 514.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1049

Analyze 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 with MolForge

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Related Compounds

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
Bis(8-benzyl-8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one);bis(8-benzyl-8-(dimethylamino)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one);8-(dimethylamino)-3-[2-(4-fluorophenyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-2-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-8-thiophen-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
CID 159639226
N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;1-[6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 159723281
(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[1-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-7-yl]propanamide;(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)-N-[2-[2-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide;(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxopurin-7-yl)-N-[2-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1,3-thiazol-4-yl]propanamide;N-[6-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]-2-[3,8-dimethyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-[3,8-dimethyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]-N-[6-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-2-pyridinyl]acetamide;(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxopurin-7-yl]-N-[6-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propanamide;molecular hydrogen
CID 159973481
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
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;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 160273070
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
N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine;3-ethenyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;1-[6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]ethanone;6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 161227825
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 123398135
4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-phenylethanone
CID 124034977
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 157229689
N-(4-cyclopentylsulfanylphenyl)-2-imidazol-1-ylacetamide;2-(2-methylimidazol-1-yl)-N-(4-phenylphenyl)acetamide;N-(6-methyl-5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide;N-(4-phenylphenyl)-2-pyridin-4-ylacetamide;N-(4-phenylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide;N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 157294558

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(CC)c1=O.CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1ccc(-c2ccsc2)cc1.Cn1c(=O)c2c(nc(-c3ccccc3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(C(F)(F)F)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(N3CCOCC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)Nc1ccc(-c2ccsc2)cc1.
What is the InChIKey of 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?
The InChIKey is HQTFSDQDVOIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S.C23H24N6O4S.C21H22N6O3S.C21H21N5O3S.C20H16F3N5O3S.C17H13N5O3S/c1-28-23-21(24(32)29(2)25(28)33)30(22(27-23)17-6-4-3-5-7-17)14-20(31)26-19-10-8-16(9-11-19)18-12-13-34-15-18;1-26-20-19(21(31)27(2)23(26)32)29(22(25-20)28-8-10-33-11-9-28)13-18(30)24-17-5-3-15(4-6-17)16-7-12-34-14-16;1-24(2)20-23-18-17(19(29)26(4)21(30)25(18)3)27(20)11-16(28)22-15-7-5-13(6-8-15)14-9-10-31-12-14;1-3-25-19-18(20(28)26(4-2)21(25)29)24(13-22-19)11-17(27)23-16-7-5-14(6-8-16)15-9-10-30-12-15;1-26-16-15(17(30)27(2)19(26)31)28(18(25-16)20(21,22)23)9-14(29)24-13-5-3-11(4-6-13)12-7-8-32-10-12;23-13(7-22-9-18-15-14(22)16(24)21-17(25)20-15)19-12-3-1-10(2-4-12)11-5-6-26-8-11/h3-13,15H,14H2,1-2H3,(H,26,31);3-7,12,14H,8-11,13H2,1-2H3,(H,24,30);5-10,12H,11H2,1-4H3,(H,22,28);5-10,12-13H,3-4,11H2,1-2H3,(H,23,27);3-8,10H,9H2,1-2H3,(H,24,29);1-6,8-9H,7H2,(H,19,23)(H2,20,21,24,25).
What are the key properties of 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?
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 has a molecular weight of 2644.93 g/mol, XLogP of 14.34, 29 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158559913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).