ethyl (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C20H18BrN3O2 MolecularWeight: 412.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2C1C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=NC3=CC=CC=C3N2[C@H]1C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C20H18BrN3O2/c1-3-26-19(25)17-12(2)22-20-23-15-6-4-5-7-16(15)24(20)18(17)13-8-10-14(21)11-9-13/h4-11,18H,3H2,1-2H3,(H,22,23)/t18-/m0/s1