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

Systemtic Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]sulfamoyl]-4-methylsulfanyl-benzoic acid Openeye Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]sulfamoyl]-4-methylsulfanyl-benzoic acid CAS Name: 2-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]amino]sulfamoyl]-4-(methylthio)benzoic acid IUPAC Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]sulfamoyl]-4-methylsulfanylbenzoic acid Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]sulfamoyl]-4-(methylthio)benzoic acid Formula: C15H17N5O7S2 MolecularWeight: 443.45478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O7S2/c1-26-11-7-12(27-2)17-14(16-11)18-15(23)19-20-29(24,25)10-6-8(28-3)4-5-9(10)13(21)22/h4-7,20H,1-3H3,(H,21,22)(H2,16,17,18,19,23)