8-{4-[(4-Benzyl-1-Piperazinyl)Sulfonyl]Phenyl}-1-Propyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Formula C25H28N6O4S
IUPAC Name 8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
Molecular Mass 508.593 g·mol−1
Heat of Formation -299.2 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 584.45 Å 3
Surface Area 496.45 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[4-[4-(benzyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-7h-xanthine
  • 8-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
  • 8-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-1-propyl-3,7-dihydropurine-2,6-dione
InChIKey HHNGYTVWOXXKET-UHFFFAOYSA-N
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