3-methyl-6-[(4-methylphenyl)methyl]-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-(p-tolylmethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-6-[(4-methylphenyl)methyl]-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-6-(4-methylbenzyl)-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C35H34N6O2S MolecularWeight: 602.74846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCCN(CC5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=N2)N5CCCN(CC5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C35H34N6O2S/c1-25-13-15-27(16-14-25)23-32-36-34(33-26(2)38-41(35(33)37-32)30-11-4-3-5-12-30)39-19-8-20-40(22-21-39)44(42,43)31-18-17-28-9-6-7-10-29(28)24-31/h3-7,9-18,24H,8,19-23H2,1-2H3