Chem
J-GLOBAL ID：200907060022382813   Nikkaji number：J925.592C

8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1-propargyl-3,7-dimethylxanthine

8-[2-(1,3-ベンゾジオキソール-5-イル)エテニル]-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： C19H16N4O4
Molecular formula furigana： C19-H16-N4-O4
Molecular weight： 364.361
InChI： InChI=1S/C19H16N4O4/c1-4-9-23-18(24)16-17(22(3)19(23)25)20-15(21(16)2)8-6-12-5-7-13-14(10-12)27-11-26-13/h1,5-8,10H,9,11H2,2-3H3
InChI key： FTJJULSNSARIRX-UHFFFAOYSA-N
SMILES： Cn1c(C=Cc2ccc3OCOc3c2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Systematic name  (3)：
  • 8-[2-(1,3-ベンゾジオキソール-5-イル)エテニル]-1-プロパルギル-3,7-ジメチルキサンチン
  • 8-[2-(2H-1,3-ベンゾジオキソール-5-イル)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-(2H-1,3-benzodioxol-5-yl)ethenyl]-3,7-dimethyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1-propargyl-3,7-dimethylxanthine
Thsaurus map：
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