Chem
J-GLOBAL ID：200907014818785756   Nikkaji number：J2.227.821E

O6-Methyl-(R)-roscovitine

O6-メチル-(R)-ロスコビチン
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： C19H25N5O2
Molecular formula furigana： C19-H25-N5-O2
Molecular weight： 355.442
InChI： InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
InChI key： HGADNQLEUZSUEJ-OAHLLOKOSA-N
SMILES： CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1
Systematic name  (3)：
  • 6-(ベンジルオキシ)-9-イソプロピル-N-[(R)-1-(ヒドロキシメチル)プロピル]-9H-プリン-2-アミン
  • (2R)-2-{[6-(ベンジルオキシ)-9-(プロパン-2-イル)-9H-プリン-2-イル]アミノ}ブタン-1-オール
  • (2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
Other name (3)：
  • 6-(Benzyloxy)-9-isopropyl-N-[(R)-1-(hydroxymethyl)propyl]-9H-purine-2-amine
  • O6-メチル-(R)-ロスコビチン
  • O6-Methyl-(R)-roscovitine
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