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

Systemtic Name: 4-[6-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[6-(2-morpholino-2-oxo-ethyl)sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[6-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide IUPAC Name: 4-[6-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[4-keto-6-[(2-keto-2-morpholino-ethyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-1-yl]benzenesulfonamide Formula: C17H18N6O5S2 MolecularWeight: 450.49202

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C17H18N6O5S2/c18-30(26,27)12-3-1-11(2-4-12)23-15-13(9-19-23)16(25)21-17(20-15)29-10-14(24)22-5-7-28-8-6-22/h1-4,9,19H,5-8,10H2,(H2,18,26,27)