5-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]methyl]-2-thenoic acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(S2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(S2)C(=O)O)C

InChI

InChI=1S/C12H12N2O3S2/c1-6-7(2)13-12(14-10(6)15)18-5-8-3-4-9(19-8)11(16)17/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,15)