methyl 5-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-oxidanylidene-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-oxo-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-keto-1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H15N5O6S2 MolecularWeight: 461.4716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H15N5O6S2/c1-28-17(25)14-7-4-11(29-14)9-30-18-21-15-13(16(24)22-18)8-20-23(15)10-2-5-12(6-3-10)31(19,26)27/h2-8,20H,9H2,1H3,(H2,19,26,27)