3-methyl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-4-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-4-(4-nosylpiperazino)-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C25H27N7O4S MolecularWeight: 521.59138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N7O4S/c1-3-7-22-26-24(23-18(2)28-31(25(23)27-22)19-8-5-4-6-9-19)29-14-16-30(17-15-29)37(35,36)21-12-10-20(11-13-21)32(33)34/h4-6,8-13H,3,7,14-17H2,1-2H3