2-methyl-5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 5-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]-2-methyl-3-furoic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC(=C(O2)C)C(=O)O

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC(=C(O2)C)C(=O)O

InChI

InChI=1S/C12H12N2O4S/c1-6-3-10(15)14-12(13-6)19-5-8-4-9(11(16)17)7(2)18-8/h3-4H,5H2,1-2H3,(H,16,17)(H,13,14,15)