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

Systemtic Name: 3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-methyl-1-phenyl-6-propyl-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 3-methyl-1-phenyl-6-propyl-4-(4-tosyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C27H32N6O2S MolecularWeight: 504.64698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H32N6O2S/c1-4-9-24-28-26(25-21(3)30-33(27(25)29-24)22-10-6-5-7-11-22)31-16-8-17-32(19-18-31)36(34,35)23-14-12-20(2)13-15-23/h5-7,10-15H,4,8-9,16-19H2,1-3H3