Chem
J-GLOBAL ID：200907014962136002   Nikkaji number：J925.596F

8-(3-Chlorostyryl)-1-propargyl-3,7-dimethylxanthine

8-(3-クロロスチリル)-1-プロパルギル-3,7-ジメチルキサンチン
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： C18H15ClN4O2
Molecular formula furigana： C18-H15-CL-N4-O2
Molecular weight： 354.790
InChI： InChI=1S/C18H15ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h1,5-9,11H,10H2,2-3H3
InChI key： DAGFPIIJRDEUGX-UHFFFAOYSA-N
SMILES： Cn1c(C=Cc2cccc(Cl)c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Systematic name  (4)：
  • 8-(3-クロロスチリル)-1-プロパルギル-3,7-ジメチルキサンチン
  • 8-(3-クロロスチリル)-3,7-ジメチル-1-プロパルギルキサンチン
  • 8-[2-(3-クロロフェニル)エテニル]-3,7-ジメチル-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]-3,7-dimethyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (2)：
  • 8-(3-Chlorostyryl)-1-propargyl-3,7-dimethylxanthine
  • 8-(3-Chlorostyryl)-3,7-dimethyl-1-propargylxanthine
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