18481-26-0

中文名称甲酰胺

英文名称 4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate

CAS 18481-26-0

分子式 C20H24N4O4S

分子量 416.494

MOL 文件 18481-26-0.mol

18481-26-0 结构式

基本信息物理化学性质

基本信息

英文别名

BT-851
Einecs 242-371-3
benzoyloxymethylthiamine
4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate
4-((4-Amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino)-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[[(benzoyl)oxy]methyl]thio]-4-hydroxy-1-methyl-1-butenyl]formamide
Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[2-[[(benzoyloxy)methyl]thio]-4-hydroxy-1-methyl-1-buten-1-yl]-

物理化学性质

InChIInChI=1S/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)

InChIKeyKZZQSQPXTWSHLI-UHFFFAOYSA-N

SMILESC(N(CC1=CN=C(C)N=C1N)C(C)=C(SCOC(=O)C1=CC=CC=C1)CCO)=O