Chem
J-GLOBAL ID：200907090012963482   Nikkaji number：J925.597D

8-(3-Chlorostyryl)-1-propargyl-3-isobutylxanthine

8-(3-クロロスチリル)-1-プロパルギル-3-イソブチルキサンチン
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： C20H19ClN4O2
Molecular formula furigana： C20-H19-CL-N4-O2
Molecular weight： 382.850
InChI： InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)
InChI key： XGQKCXRYLZPINK-UHFFFAOYSA-N
SMILES： CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)[nH]c2c(=O)n(CC#C)c1=O
Systematic name  (3)：
  • 8-(3-クロロスチリル)-1-プロパルギル-3-イソブチルキサンチン
  • 8-[2-(3-クロロフェニル)エテニル]-3-(2-メチルプロピル)-1-(プロパ-2-イン-1-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 8-[2-(3-chlorophenyl)ethenyl]-3-(2-methylpropyl)-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-(3-Chlorostyryl)-1-propargyl-3-isobutylxanthine
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