Chem
J-GLOBAL ID：200907091162512639   Nikkaji number：J925.598B

8-(3-Chlorostyryl)-7-methyl-1-propargyl-3-isobutylxanthine

8-(3-クロロスチリル)-7-メチル-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： C21H21ClN4O2
Molecular formula furigana： C21-H21-CL-N4-O2
Molecular weight： 396.880
InChI： InChI=1S/C21H21ClN4O2/c1-5-11-25-20(27)18-19(26(21(25)28)13-14(2)3)23-17(24(18)4)10-9-15-7-6-8-16(22)12-15/h1,6-10,12,14H,11,13H2,2-4H3
InChI key： MUWGQLKAMQEDNZ-UHFFFAOYSA-N
SMILES： CC(C)Cn1c2nc(C=Cc3cccc(Cl)c3)n(C)c2c(=O)n(CC#C)c1=O
Systematic name  (3)：
  • 8-(3-クロロスチリル)-7-メチル-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]-7-メチル-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]-7-methyl-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)-7-methyl-1-propargyl-3-isobutylxanthine
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