6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxidanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 6-methyl-4-(2-methylsulfanyl-3-pyridyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-4-[2-(methylthio)-3-pyridinyl]-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-4-(2-methylsulfanylpyridin-3-yl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 2-keto-6-methyl-4-[2-(methylthio)-3-pyridyl]-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(N=CC=C2)SC)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)C2=C(N=CC=C2)SC)C(=O)O

InChI

InChI=1S/C13H13N3O5S/c1-6-8(11(17)18)9(16(13(20)21)12(19)15-6)7-4-3-5-14-10(7)22-2/h3-5,9H,1-2H3,(H,15,19)(H,17,18)(H,20,21)