Chem
J-GLOBAL ID：200907069395011430   Nikkaji number：J551.288C

8-(3-Chlorostyryl)caffeine

8-(3-クロロスチリル)カフェイン
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： C16H15ClN4O2
Molecular formula furigana： C16-H15-CL-N4-O2
Molecular weight： 330.770
InChI： InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3
InChI key： WBWFIUAVMCNYPG-UHFFFAOYSA-N
SMILES： Cn1c(C=Cc2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
Systematic name  (4)：
  • 8-(3-クロロスチリル)-1,3,7-トリメチルキサンチン
  • 1,3,7-トリメチル-8-(3-クロロスチリル)キサンチン
  • 8-[2-(3-クロロフェニル)エテニル]-1,3,7-トリメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3)：
  • 1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
  • 8-(3-クロロスチリル)カフェイン
  • 8-(3-Chlorostyryl)caffeine
CAS registry number： 148589-13-3
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