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

Systemtic Name: 3,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3,6-dimethyl-1-phenyl-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 3,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 3,6-dimethyl-1-phenyl-4-(4-tosyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

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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

Isomeric SMILES

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

InChI

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