Chem
J-GLOBAL ID：200907058109694760   Nikkaji number：J925.590G

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

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-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： C18H14N4O4
Molecular formula furigana： C18-H14-N4-O4
Molecular weight： 350.334
InChI： InChI=1S/C18H14N4O4/c1-3-8-22-17(23)15-16(21(2)18(22)24)20-14(19-15)7-5-11-4-6-12-13(9-11)26-10-25-12/h1,4-7,9H,8,10H2,2H3,(H,19,20)
InChI key： ADESTIQKKYKDKN-UHFFFAOYSA-N
SMILES： Cn1c2nc(C=Cc3ccc4OCOc4c3)[nH]c2c(=O)n(CC#C)c1=O
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-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-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-methyl-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-methylxanthine
Thsaurus map：
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