4-[(4-methoxyphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 2,4-dimethyl-6-(p-anisylthio)pyrimidine-5-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-9-13(15(18)19)14(17-10(2)16-9)21-8-11-4-6-12(20-3)7-5-11/h4-7H,8H2,1-3H3,(H,18,19)