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

Systemtic Name: 4-methyl-6-(4-methylphenyl)-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxobutan-2-yl)thio]-4-methyl-6-(4-methylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-4-methyl-6-(4-methylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4-methyl-6-(p-tolyl)pyrimidine-5-carboxylic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=C(C(=N1)C)C(=O)O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H18N2O4S/c1-4-12(15(20)21)24-17-18-10(3)13(16(22)23)14(19-17)11-7-5-9(2)6-8-11/h5-8,12H,4H2,1-3H3,(H,20,21)(H,22,23)