HIT ID: HIT214434733
Cas No: 2095417-56-2
分子式: C18H18N6O4S
分子量: 414.44
常用名: 2-(4-Cyanobenzyl)thioadenosine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[({6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}sulfanyl)methyl]benzonitrile
IUPAC: 4-[({6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}sulfanyl)methyl]benzonitrile
SMILES: Nc1nc(SCc2ccc(cc2)C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SMILES: Nc1nc(SCc2ccc(cc2)C#N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI key: FLWUWSUNBCHXLC-LSCFUAHRSA-N