2-Ethynyl Adenosine
HIT212714159
sdf文件结构编辑类似物检索
HIT ID: HIT212714159
Cas No: 99044-57-2
分子式: C12H13N5O4
分子量: 291.267
常用名: 2-Ethynyl Adenosine
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: -1.2414643
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-ethynyl-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
IUPAC: (2R,3R,4S,5R)-2-(6-amino-2-ethynyl-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILES: Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
SMILES: Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#C
InChI key: ILZDIASZHUIPSA-JJNLEZRASA-N
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