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

Systemtic Name: 2-(azidomethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-(azidomethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-(azidomethyl)-6-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-(azidomethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-(azidomethyl)-6-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C15H15N7O7S MolecularWeight: 437.3873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2C(=O)O)CN=[N+]=[N-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC(=C2C(=O)O)CN=[N+]=[N-])OC

InChI

InChI=1S/C15H15N7O7S/c1-28-10-6-11(29-2)19-14(18-10)20-15(25)21-30(26,27)9-5-3-4-8(7-17-22-16)12(9)13(23)24/h3-6H,7H2,1-2H3,(H,23,24)(H2,18,19,20,21,25)