Chem
J-GLOBAL ID：200907066274755211   Nikkaji number：J925.594J

8-[2-(3-Thienyl)ethenyl]-1-propargyl-3,7-dimethylxanthine

8-[2-(3-チエニル)エテニル]-1-プロパルギル-3,7-ジメチルキサンチン
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： C16H14N4O2S
Molecular formula furigana： C16-H14-N4-O2-S
Molecular weight： 326.370
InChI： InChI=1S/C16H14N4O2S/c1-4-8-20-15(21)13-14(19(3)16(20)22)17-12(18(13)2)6-5-11-7-9-23-10-11/h1,5-7,9-10H,8H2,2-3H3
InChI key： QNSIAJAOFJMHSM-UHFFFAOYSA-N
SMILES： Cn1c(C=Cc2ccsc2)nc2n(C)c(=O)n(CC#C)c(=O)c12
Systematic name  (3)：
  • 8-[2-(3-チエニル)エテニル]-1-プロパルギル-3,7-ジメチルキサンチン
  • 3,7-ジメチル-1-(プロパ-2-イン-1-イル)-8-[2-(チオフェン-3-イル)エテニル]-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3,7-dimethyl-1-(prop-2-yn-1-yl)-8-[2-(thiophen-3-yl)ethenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-[2-(3-Thienyl)ethenyl]-1-propargyl-3,7-dimethylxanthine
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