(4-ethylphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: (4-ethylphenyl) 5-chloro-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxylic acid (4-ethylphenyl) ester Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H19ClN2O2S/c1-3-15-8-10-17(11-9-15)26-20(25)19-18(22)12-23-21(24-19)27-13-16-6-4-14(2)5-7-16/h4-12H,3,13H2,1-2H3