2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid

Systemtic Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Openeye Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]terephthalic acid IUPAC Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Traditional Name: 2-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Formula: C14H13N5O9S MolecularWeight: 427.34612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O9S/c1-27-13-16-11(17-14(18-13)28-2)15-12(24)19-29(25,26)8-5-6(9(20)21)3-4-7(8)10(22)23/h3-5H,1-2H3,(H,20,21)(H,22,23)(H2,15,16,17,18,19,24)