1,3-Dimethyl-7,9-Dihydro-1H-Purine-2,6,8(3H)-Trione

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Properties Simple | Detailed

Formula C7H8N4O3
IUPAC Name 1,3-dimethyl-7,9-dihydropurine-4,5-diide-2,6,8-trione
Molecular Mass 196.163 g·mol−1
Heat of Formation -408.5 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 207.3 Å 3
Surface Area 201.32 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dimethyl-2,6,8-trihydroxypurine
  • 1,3-dimethyl-7,9-dihydro-3h-purine-2,6,8-trione
  • 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
  • 1,3-dimethyluric acid
  • 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-1,3-dimethyl-
  • 7,9-dihydro-1,3-dimethyl-1h-purine-2,6,8(3h)-trione
  • ba 2751
  • oprea1_454522
  • oxytheophylline
  • uric acid, 1,3-dimethyl-
  • uric acid, 1,3-dimethyl- (6ci,7ci,8ci)
  • uric acid, 1,3-dimethyl- (van) (8ci)
CAS Number(s)
  • 944-73-0
InChIKey OTSBKHHWSQYEHK-UHFFFAOYSA-N
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