Chem
J-GLOBAL ID：200907050197032550   Nikkaji number：J568.554K

1-(2-Cyano-2-deoxy-β-D-arabinofuranosyl)-4-(acetylamino)pyrimidin-2(1H)-one

1-(2-シアノ-2-デオキシ-β-D-アラビノフラノシル)-4-(アセチルアミノ)ピリミジン-2(1H)-オン
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： C12H14N4O5
Molecular formula furigana： C12-H14-N4-O5
Molecular weight： 294.267
InChI： InChI=1S/C12H14N4O5/c1-6(18)14-9-2-3-16(12(20)15-9)11-7(4-13)10(19)8(5-17)21-11/h2-3,7-8,10-11,17,19H,5H2,1H3,(H,14,15,18,20)/t7-,8+,10-,11+/m0/s1
InChI key： ZVJRUYLDONXPQT-GISOBZBCSA-N
SMILES： CC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1
Systematic name  (3)：
  • 1-(2-シアノ-2-デオキシ-β-D-アラビノフラノシル)-4-(アセチルアミノ)ピリミジン-2(1H)-オン
  • N-{1-[(2R,3S,4S,5R)-3-シアノ-4-ヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-2-オキソ-1,2-ジヒドロピリミジン-4-イル}アセトアミド
  • N-{1-[(2R,3S,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}acetamide
Other name (1)：
  • 1-(2-Cyano-2-deoxy-β-D-arabinofuranosyl)-4-(acetylamino)pyrimidin-2(1H)-one
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