5-(4-methoxyphenyl)carbonyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-(4-methoxyphenyl)carbonyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-(4-methoxybenzoyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-(4-methoxybenzoyl)-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 2-(methylthio)-5-p-anisoyl-pyrimidine-4-carboxylic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CN=C(N=C2C(=O)O)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CN=C(N=C2C(=O)O)SC

InChI

InChI=1S/C14H12N2O4S/c1-20-9-5-3-8(4-6-9)12(17)10-7-15-14(21-2)16-11(10)13(18)19/h3-7H,1-2H3,(H,18,19)