2-[(4-iodanyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(4-iodanyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(4-iodo-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(4-iodo-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-iodo-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(4-iodo-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C13H11IN4O6S MolecularWeight: 478.21911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)I

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)I

InChI

InChI=1S/C13H11IN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)