1,3-Dimethyl-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 C11H12N6O3
IUPAC Name 1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione
Molecular Mass 276.251 g·mol−1
Heat of Formation -89.3 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 301.3 Å 3
Surface Area 280.67 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]purine-2,6-dione
  • 1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]xanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-
  • 3,7-dihydro-1,3-dimethyl-7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1h-purine-2,6-dione
  • 3-((1,3-dimethylxanthin-7-yl)methyl)-5-methyl-1,2,4-oxadiazole
  • 7-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)theophylline
  • ch-170
  • chinoin 170
  • chinoin-170
CAS Number(s)
  • 88338-63-0
InChIKey JBXSBZBZASARMY-UHFFFAOYSA-N
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