2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]terephthalic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]terephthalic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]terephthalic acid CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]terephthalic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]terephthalic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]terephthalic acid Formula: C15H14N4O9S MolecularWeight: 426.35806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C15H14N4O9S/c1-27-10-6-11(28-2)17-14(16-10)18-15(24)19-29(25,26)9-5-7(12(20)21)3-4-8(9)13(22)23/h3-6H,1-2H3,(H,20,21)(H,22,23)(H2,16,17,18,19,24)