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

Systemtic Name: 4-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-esyl-1,4-diazepan-1-yl)-3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidine Formula: C22H30N6O2S MolecularWeight: 442.5776

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-4-10-19-23-21(26-13-9-14-27(16-15-26)31(29,30)5-2)20-17(3)25-28(22(20)24-19)18-11-7-6-8-12-18/h6-8,11-12H,4-5,9-10,13-16H2,1-3H3