7-(2-Chloro-Benzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C18H21ClN6O2
IUPAC Name 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 388.851 g·mol−1
Heat of Formation -96.7 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 434.58 Å 3
Surface Area 352.43 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-xanthine
  • 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione
  • 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione
  • bas 01547192
  • oprea1_346946
  • oprea1_567139
  • stk261898
InChIKey PDZWWGBRZISNRL-UHFFFAOYSA-N
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Elements H C N O Cl