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

Systemtic Name: 3-methyl-1-phenyl-4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C26H30N6O2S MolecularWeight: 490.6204

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2S/c1-3-11-23-27-25(24-20(2)29-32(26(24)28-23)21-12-6-4-7-13-21)30-16-10-17-31(19-18-30)35(33,34)22-14-8-5-9-15-22/h4-9,12-15H,3,10-11,16-19H2,1-2H3