Chem
J-GLOBAL ID：200907035901852659   Nikkaji number：J401.133C

1,3-Di(2-propynyl)-7-methylxanthine

1,3-ジ(2-プロピニル)-7-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： C12H10N4O2
Molecular formula furigana： C12-H10-N4-O2
Molecular weight： 242.238
InChI： InChI=1S/C12H10N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h1-2,8H,6-7H2,3H3
InChI key： FYPWBUUWPDQEKA-UHFFFAOYSA-N
SMILES： Cn1cnc2n(CC#C)c(=O)n(CC#C)c(=O)c12
Systematic name  (3)：
  • 1,3-ジ(2-プロピニル)-7-メチルキサンチン
  • 7-メチル-1,3-ビス(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
  • 7-methyl-1,3-bis(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,3-Di(2-propynyl)-7-methylxanthine
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