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

Systemtic Name: ethyl 2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate CAS Name: 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Traditional Name: 2-[[4-keto-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butyric acid ethyl ester Formula: C17H19N5O5S2 MolecularWeight: 437.49326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H19N5O5S2/c1-3-13(16(24)27-4-2)28-17-20-14-12(15(23)21-17)9-19-22(14)10-5-7-11(8-6-10)29(18,25)26/h5-9,13,19H,3-4H2,1-2H3,(H2,18,25,26)