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

Systemtic Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-butanoic acid Openeye Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]sulfanyl-3-methoxy-butanoic acid CAS Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-2-pyrimidin-1-iumyl]thio]-3-methoxybutanoic acid IUPAC Name: 2-[1-(dimethylsulfamoyl)-4,6-dimethoxypyrimidin-1-ium-2-yl]sulfanyl-3-methoxybutanoic acid Traditional Name: 2-[[1-(dimethylsulfamoyl)-4,6-dimethoxy-pyrimidin-1-ium-2-yl]thio]-3-methoxy-butyric acid Formula: C13H22N3O7S2+ MolecularWeight: 396.45968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O7S2/c1-8(21-4)11(12(17)18)24-13-14-9(22-5)7-10(23-6)16(13)25(19,20)15(2)3/h7-8,11H,1-6H3/p+1