HIT ID: HIT101348866
Cas No: 38048-32-7
分子式: C17H17N5O6S
分子量: 419.41
常用名: Nitrobenzylthioinosine
氢键受体数 (HBA): 9
氢键供体数 (HBD): 3
LogP: 3.020000000000000e-001
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol
IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(4-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)oxolane-3,4-diol
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
InChI key: DYCJFJRCWPVDHY-LSCFUAHRSA-N
