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 C21H16N6O3S2
IUPAC Name 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4h-pyrazolo[5,4-e]pyrimidine-7-thione
Molecular Mass 464.520 g·mol−1
Heat of Formation 2915.8 ± 16.7 kJ·mol−1
Dipole Moment 13.57 ± 1.08 D
Volume 393.24 Å 3
Surface Area 334.55 Å 2
HOMO Energy -6.70 ± 0.55 eV
LUMO Energy -3.45 ± 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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