ethyl 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2,4-dichlorobenzyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18Cl2N2O2S MolecularWeight: 433.35082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18Cl2N2O2S/c1-3-27-21(26)18-13(2)24-19(14-7-5-4-6-8-14)25-20(18)28-12-15-9-10-16(22)11-17(15)23/h4-11H,3,12H2,1-2H3