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

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-2-pyrimidin-1-iumyl]thio]-3-methylbutanoic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxypyrimidin-1-ium-2-yl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]thio]-3-methyl-butyric acid Formula: C13H22N3O6S2+ MolecularWeight: 380.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)N(C)C)OC)OC

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)N(C)C)OC)OC

InChI

InChI=1S/C13H21N3O6S2/c1-8(2)11(12(17)18)23-13-14-9(21-5)7-10(22-6)16(13)24(19,20)15(3)4/h7-8,11H,1-6H3/p+1