KMUP-4
HIT212716632
sdf文件结构编辑类似物检索
HIT ID: HIT212716632
Cas No: 864873-81-4
分子式: C19H23N7O4
分子量: 413.438
常用名: KMUP-4
氢键受体数 (HBA): 7
氢键供体数 (HBD): 0
LogP: 1.151223
IUPAC: 1,3-dimethyl-7-{2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 1,3-dimethyl-7-{2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: Cn1c2ncn(CCN3CCN(CC3)c3ccccc3[N+]([O-])=O)c2c(=O)n(C)c1=O
SMILES: Cn1c2ncn(CCN3CCN(CC3)c3ccccc3[N+]([O-])=O)c2c(=O)n(C)c1=O
InChI key: GHCXHWXSBNBFPF-UHFFFAOYSA-N
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