Chem
J-GLOBAL ID：200907098917136998   Nikkaji number：J925.601F

8-(3-Chlorostyryl)-1,7-dipropargyl-3-methylxanthine

8-(3-クロロスチリル)-1,7-ジプロパルギル-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： C20H15ClN4O2
Molecular formula furigana： C20-H15-CL-N4-O2
Molecular weight： 378.820
InChI： InChI=1S/C20H15ClN4O2/c1-4-11-24-16(10-9-14-7-6-8-15(21)13-14)22-18-17(24)19(26)25(12-5-2)20(27)23(18)3/h1-2,6-10,13H,11-12H2,3H3
InChI key： MUICHXSTXRYQBR-UHFFFAOYSA-N
SMILES： Cn1c2nc(C=Cc3cccc(Cl)c3)n(CC#C)c2c(=O)n(CC#C)c1=O
Systematic name  (3)：
  • 8-(3-クロロスチリル)-1,7-ジプロパルギル-3-メチルキサンチン
  • 8-[2-(3-クロロフェニル)エテニル]-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
  • 8-[2-(3-chlorophenyl)ethenyl]-3-methyl-1,7-bis(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 8-(3-Chlorostyryl)-1,7-dipropargyl-3-methylxanthine
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