4-[6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[6-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[[2-(1-azepanyl)-2-oxoethyl]thio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[6-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C19H22N6O4S2 MolecularWeight: 462.54578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H22N6O4S2/c20-31(28,29)14-7-5-13(6-8-14)25-17-15(11-21-25)18(27)23-19(22-17)30-12-16(26)24-9-3-1-2-4-10-24/h5-8,11,21H,1-4,9-10,12H2,(H2,20,28,29)