HIT ID: HIT212655853
Cas No: 35920-39-9
分子式: C12H16N6O4
分子量: 308.298
常用名: 5'-N-Ethylcarboxamidoadenosine
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: -1.9971479
IUPAC: (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
IUPAC: (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
InChI key: JADDQZYHOWSFJD-FLNNQWSLSA-N