Chem
J-GLOBAL ID：200907081935616115   Nikkaji number：J279.440C

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid

1,2,3,6-テトラヒドロ-1,3-ジメチル-2,6-ジオキソ-7H-プリン-7-ブタン酸
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： C11H14N4O4
Molecular formula furigana： C11-H14-N4-O4
Molecular weight： 266.257
InChI： InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChI key： KCQMWMWEALWVLJ-UHFFFAOYSA-N
SMILES： Cn1c2ncn(CCCC(=O)O)c2c(=O)n(C)c1=O
Systematic name  (3)：
  • 1,2,3,6-テトラヒドロ-1,3-ジメチル-2,6-ジオキソ-7H-プリン-7-ブタン酸
  • 4-(1,3-ジメチル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-7-イル)ブタン酸
  • 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)butanoic acid
Other name (1)：
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butanoic acid
CAS registry number： 52083-48-4
Regulation number (1)：
  • EINECS2576484
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