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

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 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-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-phenyl-4-(4-tosyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C23H24N6O2S MolecularWeight: 448.54066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O2S/c1-18-8-10-20(11-9-18)32(30,31)28-13-5-12-27(14-15-28)22-21-16-26-29(23(21)25-17-24-22)19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3