HIT ID: HIT219158880
Cas No: 10072-48-7
分子式: C21H24N4O7S
分子量: 476.5
常用名: Acefurtiamine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-(furan-2-carbonylsulfanyl)pent-3-en-1-yl 2-(acetyloxy)acetate
IUPAC: 4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-(furan-2-carbonylsulfanyl)pent-3-en-1-yl 2-(acetyloxy)acetate
SMILES: CC(=O)OCC(=O)OCCC(SC(=O)c1ccco1)=C(C)N(Cc1cnc(C)nc1N)C=O
SMILES: CC(=O)OCC(=O)OCCC(SC(=O)c1ccco1)=C(C)N(Cc1cnc(C)nc1N)C=O
InChI key: MYBUGVXNAHWTOL-UHFFFAOYSA-N