ethyl 4-(3-bromophenyl)-2-(cyanomethylsulfanyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-2-(cyanomethylsulfanyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromophenyl)-2-(cyanomethylsulfanyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-2-(cyanomethylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromophenyl)-2-(cyanomethylsulfanyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-(cyanomethylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H16BrN3O2S MolecularWeight: 394.28614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)Br)SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=CC=C2)Br)SCC#N)C

InChI

InChI=1S/C16H16BrN3O2S/c1-3-22-15(21)13-10(2)19-16(23-8-7-18)20-14(13)11-5-4-6-12(17)9-11/h4-6,9,14H,3,8H2,1-2H3,(H,19,20)