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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-6-propyl-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-6-propyl-4-(4-tosyl-1,4-diazepan-1-yl)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(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H30N6O2S/c1-3-8-24-28-25(23-19-27-32(26(23)29-24)21-9-5-4-6-10-21)30-15-7-16-31(18-17-30)35(33,34)22-13-11-20(2)12-14-22/h4-6,9-14,19H,3,7-8,15-18H2,1-2H3