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

Systemtic Name: methyl 2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O5S2/c1-3-12(15(23)26-2)27-16-19-13-11(14(22)20-16)8-18-21(13)9-4-6-10(7-5-9)28(17,24)25/h4-8,12,18H,3H2,1-2H3,(H2,17,24,25)