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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-(1-methylbutyl)-1-phenyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-(1-methylbutyl)-1-phenyl-4-(4-tosylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H32N6O2S/c1-4-8-21(3)25-29-26(24-19-28-33(27(24)30-25)22-9-6-5-7-10-22)31-15-17-32(18-16-31)36(34,35)23-13-11-20(2)12-14-23/h5-7,9-14,19,21H,4,8,15-18H2,1-3H3