N,N'-1H-Pyrazolo[3,4-D]Pyrimidine-4,6-Diyldibenzamide

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Properties Simple | Detailed

Formula C19H14N6O2
IUPAC Name n-(6-benzamido-1h-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
Molecular Mass 358.353 g·mol−1
Heat of Formation 271.4 ± 16.7 kJ·mol−1
Dipole Moment 0.68 ± 1.08 D
Volume 401.3 Å 3
Surface Area 368.19 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazolo(3,4-d)pyrimidine, 4,6-dibenzamido-
  • 4,6-dbapp
  • 4,6-dibenzamidopyrazole(3,4-d)pyrimidine
  • n-[6-(benzoylamino)-1h-pyrazolo[4,3-e]pyrimidin-4-yl]benzamide
  • n-[6-(phenylcarbonylamino)-1h-pyrazolo[4,3-e]pyrimidin-4-yl]benzamide
  • n-[6-[(oxo-phenylmethyl)amino]-1h-pyrazolo[4,3-e]pyrimidin-4-yl]benzamide
CAS Number(s)
  • 108536-61-4
InChIKey FRNHKUARBXYWKW-UHFFFAOYSA-N
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