HIT ID: HIT214433585
Cas No: 23558-62-5
分子式: C17H18ClN5O4
分子量: 391.81
常用名: 2'-Chloro-N6-benzyl adenosine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,3R,4S,5R)-2-[6-(benzylamino)-2-chloro-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC: (2R,3R,4S,5R)-2-[6-(benzylamino)-2-chloro-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
InChI key: HRVFIAYJEMWYTP-XNIJJKJLSA-N