hexyl (4S,5R)-4-(2-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: hexyl (4S,5R)-4-(2-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: hexyl (4S,5R)-4-(2-bromophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-bromophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S,5R)-4-(2-bromophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-bromophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C18H23BrN2O3 MolecularWeight: 395.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CC=C2Br

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=CC=C2Br

InChI

InChI=1S/C18H23BrN2O3/c1-3-4-5-8-11-24-17(22)15-12(2)20-18(23)21-16(15)13-9-6-7-10-14(13)19/h6-7,9-10,15-16H,2-5,8,11H2,1H3,(H2,20,21,23)/t15-,16+/m0/s1