ethyl 6-methyl-4-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-phenyl-2-(phenylmethylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenyl-2-(phenylmethylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-3-25-20(24)18-15(2)22-21(26-14-16-10-6-4-7-11-16)23-19(18)17-12-8-5-9-13-17/h4-13,19H,3,14H2,1-2H3,(H,22,23)