5-{2-Ethoxy-5-[(4-Methyl-1-Piperazinyl)Sulfonyl]Phenyl}-1-Methyl-3-Propyl-1,4-Dihydro-7H-Pyrazolo[4,3-D]Pyrimidine-7-Thione

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Properties Simple | Detailed

Formula C22H30N6O3S2
IUPAC Name 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[4,3-d]pyrimidine-7-thione
Molecular Mass 490.642 g·mol−1
Heat of Formation -98.4 ± 16.7 kJ·mol−1
Dipole Moment 9.92 ± 1.08 D
Volume 572.41 Å 3
Surface Area 466.97 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
  • 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
InChIKey LJUBVCQVNMLSTQ-UHFFFAOYSA-N
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