Chem
J-GLOBAL ID：200907036174371371   Nikkaji number：J620.381G

6-[(E)-β-(Methylthio)styryl]-9H-purine

6-[(E)-β-(メチルチオ)スチリル]-9H-プリン
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： C14H12N4S
Molecular formula furigana： C14-H12-N4-S
Molecular weight： 268.340
InChI： InChI=1S/C14H12N4S/c1-19-12(10-5-3-2-4-6-10)7-11-13-14(17-8-15-11)18-9-16-13/h2-9H,1H3,(H,15,16,17,18)/b12-7+
InChI key： PQJWHEUPJSATRN-KPKJPENVSA-N
SMILES： CS/C(=C/c1ncnc2[nH]cnc12)/c1ccccc1
Systematic name  (4)：
  • 6-[(E)-2-(メチルチオ)-2-フェニルエテニル]-9H-プリン
  • 6-[(E)-β-(メチルチオ)スチリル]-9H-プリン
  • 6-[(1E)-2-(メチルスルファニル)-2-フェニルエテニル]-9H-プリン
  • 6-[(1E)-2-(methylsulfanyl)-2-phenylethenyl]-9H-purine
Other name (2)：
  • 6-[(E)-2-(Methylthio)-2-phenylethenyl]-9H-purine
  • 6-[(E)-β-(Methylthio)styryl]-9H-purine
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