2-(carboxymethylsulfanyl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid CAS Name: 2-(carboxymethylthio)-4-methyl-6-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-methyl-6-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-(carboxymethylthio)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-8-11(13(19)20)12(9-5-3-2-4-6-9)16-14(15-8)21-7-10(17)18/h2-6H,7H2,1H3,(H,17,18)(H,19,20)