8-(3,4-Dimethoxyphenyl)-3,7-Dihydro-7-Methyl-1,3-Dipropyl-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C20H30N4O4
IUPAC Name 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropyl-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 390.477 g·mol−1
Heat of Formation -497.2 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 469.42 Å 3
Surface Area 407.74 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-7-methyl-8-(3,4-dimethoxystyryl)xanthine
  • 1h-purine-2,6-dione, 8-(3,4-dimethoxyphenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-
  • 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione
  • 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropyl-xanthine
  • 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropylpurine-2,6-dione
  • kf 17837
  • kf 17837s
  • kf-17837
CAS Number(s)
  • 152881-18-0
InChIKey FSUNYKAEJIVAHY-UHFFFAOYSA-N
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