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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(4-tosylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C22H22N6O2S MolecularWeight: 434.51408

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2S/c1-17-7-9-19(10-8-17)31(29,30)27-13-11-26(12-14-27)21-20-15-25-28(22(20)24-16-23-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3