ethyl 4,5-dimethyl-2-(2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
基本情報
- CAS
488129-18-6- 標準SMILES
CCOC(=O)c1c(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCC4)sc(C)c1C- InChIKey
NINXRYQSYRZTPG-UHFFFAOYSA-N- 分子式
- C20H21N3O4S3
- 平均分子量
- 463.6 g/mol
名称と識別子
- 優先名称
- ethyl 4,5-dimethyl-2-(2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
- 英語名
- ethyl 4,5-dimethyl-2-(2-((4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate
- 分子式
- C20H21N3O4S3
- 分子量
- 463.59
名称と別名
488129-18-6ethyl 4,5-dimethyl-2-(2-((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-[2-({12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)acetamido]thiophene-3-carboxylateethyl 4,5-dimethyl-2-[2-(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4 ,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylateSBB083620STK847105STL079550AKOS002161064AKOS005627074ST50032748F1247-0002ethyl 2-({[(4-hydroxy-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)-4,5-dimethylthiophene-3-carboxylate
名称をさらに表示
ethyl 4,5-dimethyl-2-(2-((4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamido)thiophene-3-carboxylate3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[2-[(1,5,6,7-tetrahydro-4-oxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-, ethyl ester
ethyl 4,5-dimethyl-2-({[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylateethyl 4,5-dimethyl-2-[[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylateEthyl 4,5-dimethyl-2-[2-(4-oxo(3,5,6,7-tetrahydrocyclopenta[1,2-d]pyrimidino[4,5-b]thiophen-2-ylthio))acetylamino]thiophene-3-carboxylate
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 179 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 7
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 749
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