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

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 2-(carboxymethylthio)-4-(4-methoxyphenyl)-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylic acid Traditional Name: 2-(carboxymethylthio)-4-(4-methoxyphenyl)-6-methyl-pyrimidine-5-carboxylic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c1-8-12(14(20)21)13(9-3-5-10(22-2)6-4-9)17-15(16-8)23-7-11(18)19/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)