Chem
J-GLOBAL ID：200907097611741115   Nikkaji number：J1.796.529H

1-[6-(Benzylthio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-yl]-3-methyl-1-pentyne-3-ol

1-[6-(ベンジルスルファニル)-9-(オキサン-2-イル)-9H-プリン-2-イル]-3-メチルペンタ-1-イン-3-オール
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： C23H26N4O2S
Molecular formula furigana： C23-H26-N4-O2-S
Molecular weight： 422.550
InChI： InChI=1S/C23H26N4O2S/c1-3-23(2,28)13-12-18-25-21-20(24-16-27(21)19-11-7-8-14-29-19)22(26-18)30-15-17-9-5-4-6-10-17/h4-6,9-10,16,19,28H,3,7-8,11,14-15H2,1-2H3
InChI key： XXTXUUQYQYFCIZ-UHFFFAOYSA-N
SMILES： CCC(C)(O)C#Cc1nc(SCc2ccccc2)c2ncn(C3CCCCO3)c2n1
Systematic name  (3)：
  • 1-[6-(ベンジルチオ)-9-(テトラヒドロ-2H-ピラン-2-イル)-9H-プリン-2-イル]-3-メチル-1-ペンチン-3-オール
  • 1-[6-(ベンジルスルファニル)-9-(オキサン-2-イル)-9H-プリン-2-イル]-3-メチルペンタ-1-イン-3-オール
  • 1-[6-(benzylsulfanyl)-9-(oxan-2-yl)-9H-purin-2-yl]-3-methylpent-1-yn-3-ol
Other name (1)：
  • 1-[6-(Benzylthio)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-yl]-3-methyl-1-pentyne-3-ol
Thsaurus map：
Thesaurus Map

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