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

Systemtic Name: 6-ethyl-3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-ethyl-3-methyl-1-phenyl-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 6-ethyl-3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 6-ethyl-3-methyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 6-ethyl-3-methyl-1-phenyl-4-(4-tosyl-1,4-diazepan-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C26H30N6O2S MolecularWeight: 490.6204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H30N6O2S/c1-4-23-27-25(24-20(3)29-32(26(24)28-23)21-9-6-5-7-10-21)30-15-8-16-31(18-17-30)35(33,34)22-13-11-19(2)12-14-22/h5-7,9-14H,4,8,15-18H2,1-3H3