2-(4,6-dimethoxy-1-pyridin-2-ylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-(4,6-dimethoxy-1-pyridin-2-ylsulfonyl-pyrimidin-1-ium-2-yl)sulfanyl-3-methyl-butanoic acid Openeye Name: 2-[4,6-dimethoxy-1-(2-pyridylsulfonyl)pyrimidin-1-ium-2-yl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[4,6-dimethoxy-1-(2-pyridinylsulfonyl)-2-pyrimidin-1-iumyl]thio]-3-methylbutanoic acid IUPAC Name: 2-(4,6-dimethoxy-1-pyridin-2-ylsulfonylpyrimidin-1-ium-2-yl)sulfanyl-3-methylbutanoic acid Traditional Name: 2-[[4,6-dimethoxy-1-(2-pyridylsulfonyl)pyrimidin-1-ium-2-yl]thio]-3-methyl-butyric acid Formula: C16H20N3O6S2+ MolecularWeight: 414.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C2=CC=CC=N2)OC)OC

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC(=CC(=[N+]1S(=O)(=O)C2=CC=CC=N2)OC)OC

InChI

InChI=1S/C16H19N3O6S2/c1-10(2)14(15(20)21)26-16-18-11(24-3)9-13(25-4)19(16)27(22,23)12-7-5-6-8-17-12/h5-10,14H,1-4H3/p+1