4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-isopropyl-1-phenyl-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-propan-2-ylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-isopropyl-1-phenyl-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:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C(C)C

InChI

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