5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-(2,3-dimethylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-(2,3-dimethylphenyl)-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 5-(2,3-dimethylphenyl)-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-(2,3-dimethylphenyl)-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=CN=C(N=C2C(=O)O)SC

Isomeric SMILES

CC1=CC=CC(=C1C)C2=CN=C(N=C2C(=O)O)SC

InChI

InChI=1S/C14H14N2O2S/c1-8-5-4-6-10(9(8)2)11-7-15-14(19-3)16-12(11)13(17)18/h4-7H,1-3H3,(H,17,18)