Chem
J-GLOBAL ID：200907036537440168   Nikkaji number：J1.796.532H

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

3-メチル-1-[9-(オキサン-2-イル)-6-フェニルメタンスルホニル-9H-プリン-2-イル]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： C23H26N4O4S
Molecular formula furigana： C23-H26-N4-O4-S
Molecular weight： 454.550
InChI： InChI=1S/C23H26N4O4S/c1-3-23(2,28)13-12-18-25-21-20(24-16-27(21)19-11-7-8-14-31-19)22(26-18)32(29,30)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： YKBDEKLNIPKJSN-UHFFFAOYSA-N
SMILES： CCC(C)(O)C#Cc1nc(c2ncn(C3CCCCO3)c2n1)S(=O)(=O)Cc1ccccc1
Systematic name  (3)：
  • 1-[6-(ベンジルスルホニル)-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
  • 3-メチル-1-[9-(オキサン-2-イル)-6-フェニルメタンスルホニル-9H-プリン-2-イル]ペンタ-1-イン-3-オール
  • 3-methyl-1-[9-(oxan-2-yl)-6-phenylmethanesulfonyl-9H-purin-2-yl]pent-1-yn-3-ol
Other name (1)：
  • 1-[6-(Benzylsulfonyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-2-yl]-3-methyl-1-pentyne-3-ol
Thsaurus map：
Thesaurus Map

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