5-[2-Ethoxy-5-(1-Piperazinylsulfonyl)Phenyl]-1-Methyl-3-Propyl-1,4-Dihydro-7H-Pyrazolo[4,3-D]Pyrimidin-7-One

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Properties Simple | Detailed

Formula C21H28N6O4S
IUPAC Name 5-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-2,3,3a,5,6,7a-hexaid-7-one
Molecular Mass 460.550 g·mol−1
Heat of Formation -324.3 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 528.68 Å 3
Surface Area 439.71 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
  • 5-[2-ethoxy-5-(1-piperazinylsulfonyl)phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
  • demethylsildenafil
InChIKey UZTKBZXHEOVDRL-UHFFFAOYSA-N
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