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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2S/c1-4-8-23-27-25(24-20(3)29-32(26(24)28-23)21-9-6-5-7-10-21)30-15-17-31(18-16-30)35(33,34)22-13-11-19(2)12-14-22/h5-7,9-14H,4,8,15-18H2,1-3H3