Chem
J-GLOBAL ID：200907032694735931   Nikkaji number：J401.136H

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

1,7-ジ(2-プロピニル)-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： C12H10N4O2
Molecular formula furigana： C12-H10-N4-O2
Molecular weight： 242.238
InChI： InChI=1S/C12H10N4O2/c1-4-6-15-8-13-10-9(15)11(17)16(7-5-2)12(18)14(10)3/h1-2,8H,6-7H2,3H3
InChI key： BBEAUUOWIVAPNF-UHFFFAOYSA-N
SMILES： Cn1c2ncn(CC#C)c2c(=O)n(CC#C)c1=O
Systematic name  (3)：
  • 1,7-ジ(2-プロピニル)-3-メチルキサンチン
  • 3-メチル-1,7-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
  • 3-methyl-1,7-bis(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,7-Di(2-propynyl)-3-methylxanthine
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