Chem
J-GLOBAL ID：200907042177271190   Nikkaji number：J823.057I

Roscovitine

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： C19H26N6O
Molecular formula furigana： C19-H26-N6-O
Molecular weight： 354.458
InChI： InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
InChI key： BTIHMVBBUGXLCJ-OAHLLOKOSA-N
SMILES： CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Systematic name  (5)：
  • (R)-2-[[6-(ベンジルアミノ)-9-イソプロピル-9H-プリン-2-イル]アミノ]-1-ブタノール
  • 6-(ベンジルアミノ)-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
  • 2-[[(R)-1-(ヒドロキシメチル)プロピル]アミノ]-6-(ベンジルアミノ)-9-イソプロピル-9H-プリン
  • (2R)-2-{[6-(ベンジルアミノ)-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-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol
Other name (7)：
  • ロスコビチン
  • Roscovitine
  • (R)-2-[[6-(Benzylamino)-9-isopropyl-9H-purin-2-yl]amino]-1-butanol
  • 6-(Benzylamino)-9-isopropyl-N-[(R)-1-(hydroxymethyl)propyl]-9H-purine-2-amine
  • (R)-ロスコビチン
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