Chem
J-GLOBAL ID：200907036498079495   Nikkaji number：J568.294K

1-Propargyl-3,7-dimethyl-8-phenylxanthine

1-プロパルギル-3,7-ジメチル-8-フェニルキサンチン
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： C16H14N4O2
Molecular formula furigana： C16-H14-N4-O2
Molecular weight： 294.314
InChI： InChI=1S/C16H14N4O2/c1-4-10-20-15(21)12-14(19(3)16(20)22)17-13(18(12)2)11-8-6-5-7-9-11/h1,5-9H,10H2,2-3H3
InChI key： ZAZXEMSNSTVIIF-UHFFFAOYSA-N
SMILES： Cn1c(nc2n(C)c(=O)n(CC#C)c(=O)c12)c1ccccc1
Systematic name  (4)：
  • 8-フェニル-1-プロパルギル-3,7-ジメチルキサンチン
  • 1-プロパルギル-3,7-ジメチル-8-フェニルキサンチン
  • 3,7-ジメチル-8-フェニル-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
  • 3,7-dimethyl-8-phenyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1-Propargyl-3,7-dimethyl-8-phenylxanthine
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