3-(2-Furylmethyl)-1,8-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C12H16N4O3
IUPAC Name 3-(2-furylmethyl)-1,8-dimethyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 264.280 g·mol−1
Heat of Formation -235.4 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 290.97 Å 3
Surface Area 266.73 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-furanylmethyl)-3,7-dihydro-1,8-dimethyl-1h-purine-2,6-dione
  • 3-(2-furylmethyl)-1,8-dimethyl-7h-purine-2,6-dione
  • 3-(2-furylmethyl)-1,8-dimethyl-7h-purine-2,6-quinone
  • 3-(furan-2-ylmethyl)-1,8-dimethyl-7h-purine-2,6-dione
  • 3-furfuryl-1,8-dimethylxanthine
  • furafilina [spanish]
  • furafylline
  • furafyllinum [latin]
CAS Number(s)
  • 80288-49-9
InChIKey KGQZGCIVHYLPBH-UHFFFAOYSA-N
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