1,3-Dimethyl-7-(~11~C)Methyl-8-[(E)-2-(3,4,5-Trimethoxyphenyl)Vinyl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C19H22N4O5
IUPAC Name 1,3-dimethyl-7-(111c)methyl-8-[(e)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione
Molecular Mass 385.403 g·mol−1
Heat of Formation -504.4 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 444.1 Å 3
Surface Area 399.1 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,7-tri(methyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
  • 1,3,7-tri(methyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione
  • 1,3,7-tri(methyl)-8-[(e)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine
  • [11c]kf18446
  • [11c]tmsx
  • [7-methyl-11c]-(e)-8-(3,4,5-trimethoxystyryl)-1,3,7-trimethylxanthine
InChIKey KIAYWZXEAJWSGJ-NWHGENIKSA-N
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