4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-isobutyl-1-phenyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-isobutyl-1-phenyl-4-(4-tosylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC(C)C

InChI

InChI=1S/C26H30N6O2S/c1-19(2)17-24-28-25(23-18-27-32(26(23)29-24)21-7-5-4-6-8-21)30-13-15-31(16-14-30)35(33,34)22-11-9-20(3)10-12-22/h4-12,18-19H,13-17H2,1-3H3