methyl 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: methyl 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(3-bromophenyl)-2,7,8-trimethyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N3C(C(=C(NC3=N2)C)C(=O)OC)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1C)N3C(C(=C(NC3=N2)C)C(=O)OC)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H20BrN3O2/c1-11-8-16-17(9-12(11)2)25-19(14-6-5-7-15(22)10-14)18(20(26)27-4)13(3)23-21(25)24-16/h5-10,19H,1-4H3,(H,23,24)