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

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxopropan-2-yl)thio]-4-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-8-12(15(21)22)13(10-4-6-11(23-3)7-5-10)18-16(17-8)24-9(2)14(19)20/h4-7,9H,1-3H3,(H,19,20)(H,21,22)