Chem
J-GLOBAL ID：200907097736258106   Nikkaji number：J102.826J

1,3-Diethylheteroxanthine

1,3-ジエチルヘテロキサンチン
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/c1-4-13-8-7(12(3)6-11-8)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
InChI key： WGMHUEQTUNLCNK-UHFFFAOYSA-N
SMILES： CCn1c2ncn(C)c2c(=O)n(CC)c1=O
Systematic name  (4)：
  • 1,3-ジエチル-7-メチル3,7-ジヒドロ-1H-プリン-2,6-ジオン
  • 1,3-ジエチル-7-メチルキサンチン
  • 1,3-ジエチル-7-メチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 1,3-diethyl-7-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3)：
  • 1,3-ジエチルヘテロキサンチン
  • 1,3-Diethylheteroxanthine
  • 1,3-Diethyl-7-methylxanthine
CAS registry number： 31617-39-7
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