Chem
J-GLOBAL ID：201407072364471719   Nikkaji number：J3.323.052D

C-21256

1-[5-オキソ(4,4,6,6,6-2H5)ヘキシル]-3,7-ジメチル-7H-プリン-2,6(1H,3H)-ジオン
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： C13H13[2H]5N4O3
Molecular formula furigana： C13-H18-N4-O3
Molecular weight： 283.343
InChI： InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3/i1D3,6D2
InChI key： BYPFEZZEUUWMEJ-YRYIGFSMSA-N
SMILES： C([2H])([2H])([2H])C(=O)C([2H])([2H])CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name  (3)：
  • 1-[5-オキソ(4,4,6,6,6-2H5)ヘキシル]-3,7-ジメチル-7H-プリン-2,6(1H,3H)-ジオン
  • 3,7-ジメチル-1-[5-オキソ(4,4,6,6,6-2H5)ヘキシル]-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3,7-dimethyl-1-[5-oxo(4,4,6,6,6-2H5)hexyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (2)：
  • 1-[5-Oxo(4,4,6,6,6-2H5)hexyl]-3,7-dimethyl-7H-purine-2,6(1H,3H)-dione
  • C-21256
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