tert-butyl 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: tert-butyl 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: tert-butyl 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 2-(4-bromophenyl)-4-methyl-2,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid tert-butyl ester Formula: C22H22BrN3O2 MolecularWeight: 440.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C2N1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(N=C2N1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br)C(=O)OC(C)(C)C

InChI

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