Chem
J-GLOBAL ID：200907027076229037   Nikkaji number：J1.150.641K

Aminopurvalanol

アミノプルバラノール
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： C19H26ClN7O
Molecular formula furigana： C19-H26-CL-N7-O
Molecular weight： 403.920
InChI： InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1
InChI key： RAMROQQYRRQPDL-HNNXBMFYSA-N
SMILES： CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1
Systematic name  (3)：
  • 2-[[(R)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノ]-6-[(3-アミノ-5-クロロフェニル)アミノ]-9-イソプロピル-9H-プリン
  • (2R)-2-({6-[(3-アミノ-5-クロロフェニル)アミノ]-9-(プロパン-2-イル)-9H-プリン-2-イル}アミノ)-3-メチルブタン-1-オール
  • (2R)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Other name (3)：
  • 2-[[(R)-1-(Hydroxymethyl)-2-methylpropyl]amino]-6-[(3-amino-5-chlorophenyl)amino]-9-isopropyl-9H-purine
  • Aminopurvalanol
  • アミノプルバラノール
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