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

Systemtic Name: methyl 2-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H15N5O5S2 MolecularWeight: 409.4401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O5S2/c1-8(14(22)25-2)26-15-18-12-11(13(21)19-15)7-17-20(12)9-3-5-10(6-4-9)27(16,23)24/h3-8,17H,1-2H3,(H2,16,23,24)