1-(5-chloranyl-2-oxidanyl-phenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea; methanesulfonate

Systemtic Name: 1-(5-chloranyl-2-oxidanyl-phenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea; methanesulfonate Openeye Name: 1-(5-chloro-2-hydroxy-phenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea; methanesulfonate CAS Name: 1-(5-chloro-2-hydroxyphenyl)sulfonyl-3-(4,6-dimethoxy-2-pyrimidinyl)urea; methanesulfonate IUPAC Name: 1-(5-chloro-2-hydroxyphenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea; methanesulfonate Traditional Name: 1-(5-chloro-2-hydroxy-phenyl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea mesylate Formula: C14H16ClN4O9S2- MolecularWeight: 483.88124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)O)OC.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)O)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H13ClN4O6S.CH4O3S/c1-23-10-6-11(24-2)16-12(15-10)17-13(20)18-25(21,22)9-5-7(14)3-4-8(9)19;1-5(2,3)4/h3-6,19H,1-2H3,(H2,15,16,17,18,20);1H3,(H,2,3,4)/p-1