Sildenafil

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Formula C21H17N6O4S
IUPAC Name 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
Molecular Mass 449.462 g·mol−1
Heat of Formation 2741.0 ± 16.7 kJ·mol−1
Dipole Moment 12.40 ± 1.08 D
Volume 437.73 Å 3
Surface Area 389.16 Å 2
HOMO Energy -7.09 ± 0.55 eV
LUMO Energy -3.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1h-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine
  • 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
  • 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidin-7-one
  • 5-{2-(ethyloxy)-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7h-pyrazolo[4,3-d]pyrimidin-7-one
  • bas 04213629
  • ks-1112
  • ls-111655
  • piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1h-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-
  • via
CAS Number(s)
  • 139755-83-2
InChIKey BNRNXUUZRGQAQC-UHFFFAOYSA-N
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