Chem
J-GLOBAL ID：200907044892419121   Nikkaji number：J102.823E

1,7-Diethyl-2,3,6,7-tetrahydro-3-methyl-1H-purine-2,6-dione

1,7-ジエチル-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： C10H14N4O2
Molecular formula furigana： C10-H14-N4-O2
Molecular weight： 222.248
InChI： InChI=1S/C10H14N4O2/c1-4-13-6-11-8-7(13)9(15)14(5-2)10(16)12(8)3/h6H,4-5H2,1-3H3
InChI key： PUHCQHGITXYVPE-UHFFFAOYSA-N
SMILES： CCn1cnc2n(C)c(=O)n(CC)c(=O)c12
Systematic name  (5)：
  • 1,7-ジエチル-3-メチル3,7-ジヒドロ-1H-プリン-2,6-ジオン
  • 1,7-ジエチル-3-メチルキサンチン
  • 1,7-ジエチル-2,3,6,7-テトラヒドロ-3-メチル-1H-プリン-2,6-ジオン
  • 1,7-ジエチル-3-メチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 1,7-diethyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,7-Diethyl-2,3,6,7-tetrahydro-3-methyl-1H-purine-2,6-dione
CAS registry number： 54889-96-2
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