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

Systemtic Name: 4-methyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-6-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid CAS Name: 2-[(1-hydroxy-1-oxobutan-2-yl)thio]-4-methyl-6-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-4-methyl-6-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-(1-carboxypropylthio)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-3-11(14(19)20)23-16-17-9(2)12(15(21)22)13(18-16)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,19,20)(H,21,22)