N-(4-Cyanophenyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Phenoxy]Acetamide

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Formula C26H26N6O4
IUPAC Name n-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
Molecular Mass 486.522 g·mol−1
Heat of Formation 3979.9 ± 16.7 kJ·mol−1
Dipole Moment 64.17 ± 1.08 D
Volume 521.91 Å 3
Surface Area 484.48 Å 2
HOMO Energy -6.56 ± 0.55 eV
LUMO Energy -4.67 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[4-[((4-cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine
  • eu-0100729
  • lopac-m-6316
  • lopac0_000729
  • m6316_sigma
  • mrs 1754
  • n-(4-cyanophenyl)-2-[4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • n-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]acetamide
  • n-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)phenoxy]ethanamide
  • ncgc00015689-01
InChIKey AJBBEYXFRYFVNM-UHFFFAOYSA-N
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