3,7-Dimethyl-1-[3-(3-Methyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-1-Yl)Propyl]-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C16H20N8O4
IUPAC Name 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-7h-purin-9-ium-5-id-1-yl)propyl]purin-9-ium-5-ide-2,6-dione
Molecular Mass 388.381 g·mol−1
Heat of Formation -375.0 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 426.49 Å 3
Surface Area 374.68 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-(2,6-diketo-3-methyl-7h-purin-1-yl)propyl]-3,7-dimethyl-xanthine
  • 3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-7h-purin-1-yl)propyl]purine-2,6-dione
InChIKey PUHJHZQYIBJCSQ-UHFFFAOYSA-N
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