ethyl 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-phenethylsulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(phenethylthio)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-phenethylsulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(phenethylthio)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O2S MolecularWeight: 378.48728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O2S/c1-3-26-22(25)19-16(2)23-20(18-12-8-5-9-13-18)24-21(19)27-15-14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3