3-phenylpropyl 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-6-methyl-2-(methylthio)-5-pyrimidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-6-methyl-2-(methylthio)pyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C22H21ClN2O2S MolecularWeight: 412.93234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OCCCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C22H21ClN2O2S/c1-15-19(21(26)27-13-7-10-16-8-4-3-5-9-16)20(25-22(24-15)28-2)17-11-6-12-18(23)14-17/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3