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

Systemtic Name: 4-(4-chlorophenyl)-6-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-(4-chlorophenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-[(1-hydroxy-1-oxobutan-2-yl)thio]-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4-(4-chlorophenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O4S/c1-3-11(14(20)21)24-16-18-8(2)12(15(22)23)13(19-16)9-4-6-10(17)7-5-9/h4-7,11H,3H2,1-2H3,(H,20,21)(H,22,23)