5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazino]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H31N7O6S MolecularWeight: 581.64334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])OCC)C

InChI

InChI=1S/C27H31N7O6S/c1-4-6-22-24-25(31(3)30-22)27(35)29-26(28-24)21-17-20(11-12-23(21)40-5-2)41(38,39)33-15-13-32(14-16-33)18-7-9-19(10-8-18)34(36)37/h7-12,17H,4-6,13-16H2,1-3H3,(H,28,29,35)