3-Methyl-7-[(5-Methyl-1,2,4-Oxadiazol-3-Yl)Methyl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C10H14N6O3
IUPAC Name 3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 266.257 g·mol−1
Heat of Formation -89.8 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 279.35 Å 3
Surface Area 264.48 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-3-methyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-
  • 3,7-dihydro-3-methyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1h-purine-2,6-dione
  • 3-methyl-7-((5-methyl-1,2,4-oxadiazole-3-yl)methyl)-3,7-dihydro-1h-purine-2,6-dione
  • 3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione
  • 3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]xanthine
  • ch 13584
CAS Number(s)
  • 115779-20-9
InChIKey RYQVRAILJXPCMZ-UHFFFAOYSA-N
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