2-methylsulfanyl-6-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-methylsulfanyl-6-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid Openeye Name: 6-(4-isopropylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 2-(methylthio)-6-(4-propan-2-ylphenyl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfanyl-6-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid Traditional Name: 2-(methylthio)-6-p-cumenyl-pyrimidine-4-carboxylic acid Formula: C15H16N2O2S MolecularWeight: 288.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)SC)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CC(=NC(=N2)SC)C(=O)O

InChI

InChI=1S/C15H16N2O2S/c1-9(2)10-4-6-11(7-5-10)12-8-13(14(18)19)17-15(16-12)20-3/h4-9H,1-3H3,(H,18,19)