6-(4-tert-butylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 6-(4-tert-butylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 6-(4-tert-butylphenyl)-2-methylsulfanyl-pyrimidine-4-carboxylic acid CAS Name: 6-(4-tert-butylphenyl)-2-(methylthio)-4-pyrimidinecarboxylic acid IUPAC Name: 6-(4-tert-butylphenyl)-2-methylsulfanylpyrimidine-4-carboxylic acid Traditional Name: 6-(4-tert-butylphenyl)-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c1-16(2,3)11-7-5-10(6-8-11)12-9-13(14(19)20)18-15(17-12)21-4/h5-9H,1-4H3,(H,19,20)