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

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

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O2S/c1-3-22-26-24(23-19(2)28-31(25(23)27-22)20-11-6-4-7-12-20)29-15-10-16-30(18-17-29)34(32,33)21-13-8-5-9-14-21/h4-9,11-14H,3,10,15-18H2,1-2H3