Chem
J-GLOBAL ID：200907055562966411   Nikkaji number：J2.227.820G

N6-Methyl-(R)-roscovitine

N6-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： C20H28N6O
Molecular formula furigana： C20-H28-N6-O
Molecular weight： 368.485
InChI： InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
InChI key： YPYWONAECUVKHY-MRXNPFEDSA-N
SMILES： CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1
Systematic name  (3)：
  • 6-(ベンジルメチルアミノ)-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(メチル)アミノ]-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-[benzyl(methyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)butan-1-ol
Other name (3)：
  • 6-(Benzylmethylamino)-9-isopropyl-N-[(R)-1-(hydroxymethyl)propyl]-9H-purine-2-amine
  • N6-メチル-(R)-ロスコビチン
  • N6-Methyl-(R)-roscovitine
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