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

Systemtic Name: butyl (4S)-4-(4-bromophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C22H22BrN3O2 MolecularWeight: 440.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O2/c1-3-4-13-28-21(27)19-14(2)24-22-25-17-7-5-6-8-18(17)26(22)20(19)15-9-11-16(23)12-10-15/h5-12,20H,3-4,13H2,1-2H3,(H,24,25)/t20-/m0/s1