Chem
J-GLOBAL ID：202007005770521939   Nikkaji number：J3.747.802D

9-[3-(fluoromethyl)-4-hydroxybutyl]-2-(phenylsulfanyl)-1H-purin-6-one

9-[3-(フルオロメチル)-4-ヒドロキシブチル]-2-(フェニルスルファニル)-1H-プリン-6-オン
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： C16H17FN4O2S
Molecular formula furigana： C16-H17-F-N4-O2-S
Molecular weight： 348.400
InChI： InChI=1S/C16H17FN4O2S/c17-8-11(9-22)6-7-21-10-18-13-14(21)19-16(20-15(13)23)24-12-4-2-1-3-5-12/h1-5,10-11,22H,6-9H2,(H,19,20,23)
InChI key： QVLCFHMXRJZSJH-UHFFFAOYSA-N
SMILES： c1nc2c(=O)[nH]c(nc2n1CCC(CF)CO)Sc1ccccc1
Systematic name  (3)：
  • 9-[4-フルオロ-3-(ヒドロキシメチル)ブチル]-2-(フェニルチオ)-1H-プリン-6(9H)-オン
  • 9-[3-(フルオロメチル)-4-ヒドロキシブチル]-2-(フェニルスルファニル)-6,9-ジヒドロ-1H-プリン-6-オン
  • 9-[3-(fluoromethyl)-4-hydroxybutyl]-2-(phenylsulfanyl)-6,9-dihydro-1H-purin-6-one
Other name (2)：
  • 9-[3-(フルオロメチル)-4-ヒドロキシブチル]-2-(フェニルスルファニル)-1H-プリン-6-オン
  • 9-[3-(fluoromethyl)-4-hydroxybutyl]-2-(phenylsulfanyl)-1H-purin-6-one
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