Wofapyrin
HIT214318034
sdf文件结构编辑类似物检索
HIT ID: HIT214318034
Cas No: 8066-94-2
分子式: C32H36N5NaO3
分子量: 561.662
常用名: Wofapyrin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 4-(dimethylamino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide
IUPAC: sodium 4-(dimethylamino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-ide
SMILES: [Na+].CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O.CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O
SMILES: [Na+].CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O.CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O
InChI key: IZWMVUIMBFTBGN-UHFFFAOYSA-N
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