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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-6-propyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-6-propyl-4-(4-tosylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C25H28N6O2S/c1-3-7-23-27-24(22-18-26-31(25(22)28-23)20-8-5-4-6-9-20)29-14-16-30(17-15-29)34(32,33)21-12-10-19(2)11-13-21/h4-6,8-13,18H,3,7,14-17H2,1-2H3