2-[4,6-dimethoxy-1-(propylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid

Systemtic Name: 2-[4,6-dimethoxy-1-(propylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid Openeye Name: 2-[4,6-dimethoxy-1-(propylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methyl-butanoic acid CAS Name: 2-[[4,6-dimethoxy-1-(propylsulfamoyl)-2-pyrimidin-1-iumyl]thio]-3-methoxy-3-methylbutanoic acid IUPAC Name: 2-[4,6-dimethoxy-1-(propylsulfamoyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-3-methylbutanoic acid Traditional Name: 2-[[4,6-dimethoxy-1-(propylsulfamoyl)pyrimidin-1-ium-2-yl]thio]-3-methoxy-3-methyl-butyric acid Formula: C15H26N3O7S2+ MolecularWeight: 424.51284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)[N+]1=C(C=C(N=C1SC(C(=O)O)C(C)(C)OC)OC)OC

Isomeric SMILES

CCCNS(=O)(=O)[N+]1=C(C=C(N=C1SC(C(=O)O)C(C)(C)OC)OC)OC

InChI

InChI=1S/C15H25N3O7S2/c1-7-8-16-27(21,22)18-11(24-5)9-10(23-4)17-14(18)26-12(13(19)20)15(2,3)25-6/h9,12,16H,7-8H2,1-6H3/p+1