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

Systemtic Name: 6-(2-methylpropyl)-1-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besylpiperazino)-6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S/c1-19(2)17-23-27-24(22-18-26-31(25(22)28-23)20-9-5-3-6-10-20)29-13-15-30(16-14-29)34(32,33)21-11-7-4-8-12-21/h3-12,18-19H,13-17H2,1-2H3