Chem
J-GLOBAL ID:200907050877197171   Nikkaji number:J1.314.539C

(R)-3-Methyl-1-[9-isopropyl-6-(3,4-dichlorobenzylamino)-9H-purine-2-yl]-1-pentyne-3-ol

(R)-3-メチル-1-[9-イソプロピル-6-(3,4-ジクロロベンジルアミノ)-9H-プリン-2-イル]-1-ペンチン-3-オール
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: C21H23Cl2N5O
Molecular formula furigana: C21-H23-CL2-N5-O
Molecular weight: 432.350
InChI: InChI=1S/C21H23Cl2N5O/c1-5-21(4,29)9-8-17-26-19(18-20(27-17)28(12-25-18)13(2)3)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13,29H,5,11H2,1-4H3,(H,24,26,27)/t21-/m1/s1
InChI key: PPWQAOVOMPHJDZ-OAQYLSRUSA-N
SMILES: CC[C@@](C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
Systematic name  (3):
  • (R)-3-メチル-1-[9-イソプロピル-6-(3,4-ジクロロベンジルアミノ)-9H-プリン-2-イル]-1-ペンチン-3-オール
  • (3R)-1-(6-{[(3,4-ジクロロフェニル)メチル]アミノ}-9-(プロパン-2-イル)-9H-プリン-2-イル)-3-メチルペンタ-1-イン-3-オール
  • (3R)-1-(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol
Other name (1):
  • (R)-3-Methyl-1-[9-isopropyl-6-(3,4-dichlorobenzylamino)-9H-purine-2-yl]-1-pentyne-3-ol
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