4-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-thiophen-2-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-6-thiophen-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-4-methyl-6-(2-thienyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxopropan-2-yl)thio]-4-methyl-6-thiophen-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-4-methyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-4-methyl-6-(2-thienyl)pyrimidine-5-carboxylic acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC=CS2)SC(C)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC=CS2)SC(C)C(=O)O

InChI

InChI=1S/C13H12N2O4S2/c1-6-9(12(18)19)10(8-4-3-5-20-8)15-13(14-6)21-7(2)11(16)17/h3-5,7H,1-2H3,(H,16,17)(H,18,19)