Chem
J-GLOBAL ID：200907047469876000   Nikkaji number：J522.424A

2-[2-(α-Methyl-4-fluorobenzylidene)hydrazino]adenosine

2-[2-(α-メチル-4-フルオロベンジリデン)ヒドラジノ]アデノシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H20FN7O4
Molecular formula furigana： C18-H20-F-N7-O4
Molecular weight： 417.401
InChI： InChI=1S/C18H20FN7O4/c1-8(9-2-4-10(19)5-3-9)24-25-18-22-15(20)12-16(23-18)26(7-21-12)17-14(29)13(28)11(6-27)30-17/h2-5,7,11,13-14,17,27-29H,6H2,1H3,(H3,20,22,23,25)/t11-,13-,14-,17-/m1/s1
InChI key： DOQXNVBLKUFUIH-LSCFUAHRSA-N
SMILES： CC(=NNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1
Systematic name  (3)：
  • 2-[2-(α-メチル-4-フルオロベンジリデン)ヒドラジノ]アデノシン
  • (2R,3R,4S,5R)-2-(6-アミノ-2-{2-[1-(4-フルオロフェニル)エチリデン]ヒドラジン-1-イル}-9H-プリン-9-イル)-5-(ヒドロキシメチル)オキソラン-3,4-ジオール
  • (2R,3R,4S,5R)-2-(6-amino-2-{2-[1-(4-fluorophenyl)ethylidene]hydrazin-1-yl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Other name (1)：
  • 2-[2-(α-Methyl-4-fluorobenzylidene)hydrazino]adenosine
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