5'-O-(4-Cyanobenzyl)-2',3'-O-isopropylidene adenosine
HIT214435743
sdf文件结构编辑类似物检索
HIT ID: HIT214435743
Cas No: 1134156-51-6
分子式: C21H22N6O4
分子量: 422.445
常用名: 5'-O-(4-Cyanobenzyl)-2',3'-O-isopropylidene adenosine
常用名: 5'-O-(4-Cyanobenzyl)-2',3'-O-isopropylidene adenosine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-({[(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}methyl)benzonitrile
IUPAC: 4-({[(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methoxy}methyl)benzonitrile
SMILES: [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COCc1ccc(cc1)C#N)n1cnc2c(N)ncnc12
SMILES: [H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2COCc1ccc(cc1)C#N)n1cnc2c(N)ncnc12
InChI key: QAPIUSQGRWFEHC-WVSUBDOOSA-N
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