3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-methylsulfanyl-2-sulfamoyl-benzoic acid

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-methylsulfanyl-2-sulfamoyl-benzoic acid Openeye Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-methylsulfanyl-2-sulfamoyl-benzoic acid CAS Name: 3-[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]-4-(methylthio)-2-sulfamoylbenzoic acid IUPAC Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-methylsulfanyl-2-sulfamoylbenzoic acid Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-4-(methylthio)-2-sulfamoyl-benzoic acid Formula: C15H16N4O7S2 MolecularWeight: 428.44014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C2=C(C=CC(=C2S(=O)(=O)N)C(=O)O)SC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C2=C(C=CC(=C2S(=O)(=O)N)C(=O)O)SC)OC

InChI

InChI=1S/C15H16N4O7S2/c1-25-9-6-10(26-2)18-15(17-9)19-13(20)11-8(27-3)5-4-7(14(21)22)12(11)28(16,23)24/h4-6H,1-3H3,(H,21,22)(H2,16,23,24)(H,17,18,19,20)