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

Systemtic Name: 3-methyl-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-benzyl-3-methyl-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-4-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-benzyl-3-methyl-4-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-benzyl-3-methyl-4-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C34H32N6O2S MolecularWeight: 588.72188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7

InChI

InChI=1S/C34H32N6O2S/c1-25-32-33(35-31(23-26-11-4-2-5-12-26)36-34(32)40(37-25)29-15-6-3-7-16-29)38-19-10-20-39(22-21-38)43(41,42)30-18-17-27-13-8-9-14-28(27)24-30/h2-9,11-18,24H,10,19-23H2,1H3