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

Systemtic Name: ethyl 2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate CAS Name: 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Traditional Name: 2-[[4-keto-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]propionic acid ethyl ester Formula: C16H17N5O5S2 MolecularWeight: 423.46668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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