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

Systemtic Name: 4-(4-methoxyphenyl)-6-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxobutan-2-yl)thio]-4-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-4-12(15(20)21)25-17-18-9(2)13(16(22)23)14(19-17)10-5-7-11(24-3)8-6-10/h5-8,12H,4H2,1-3H3,(H,20,21)(H,22,23)