1-phenyl-4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-phenyl-4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-6-propan-2-yl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-besyl-1,4-diazepan-1-yl)-6-isopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2S/c1-19(2)23-27-24(22-18-26-31(25(22)28-23)20-10-5-3-6-11-20)29-14-9-15-30(17-16-29)34(32,33)21-12-7-4-8-13-21/h3-8,10-13,18-19H,9,14-17H2,1-2H3