Chem
J-GLOBAL ID：200907069060362270   Nikkaji number：J925.599K

1-Propargyl-3-benzylxanthine

1-プロパルギル-3-ベンジルキサンチン
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： C15H12N4O2
Molecular formula furigana： C15-H12-N4-O2
Molecular weight： 280.287
InChI： InChI=1S/C15H12N4O2/c1-2-8-18-14(20)12-13(17-10-16-12)19(15(18)21)9-11-6-4-3-5-7-11/h1,3-7,10H,8-9H2,(H,16,17)
InChI key： CFNMJQPREOPAPH-UHFFFAOYSA-N
SMILES： O=c1n(Cc2ccccc2)c2nc[nH]c2c(=O)n1CC#C
Systematic name  (3)：
  • 1-プロパルギル-3-ベンジルキサンチン
  • 3-ベンジル-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
  • 3-benzyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1-Propargyl-3-benzylxanthine
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