2-[(4-methoxy-6-methylselanyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(4-methoxy-6-methylselanyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(4-methoxy-6-methylselanyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-methoxy-6-(methylseleno)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-methoxy-6-methylselanyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-methoxy-6-(methylseleno)-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C13H13N5O6SSe MolecularWeight: 446.29722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)[Se]C

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)[Se]C

InChI

InChI=1S/C13H13N5O6SSe/c1-24-12-15-10(16-13(17-12)26-2)14-11(21)18-25(22,23)8-6-4-3-5-7(8)9(19)20/h3-6H,1-2H3,(H,19,20)(H2,14,15,16,17,18,21)