ethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 4-(5-bromanyl-2-methoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(5-bromo-2-methoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-4-28-20(26)18-12(2)23-21-24-15-7-5-6-8-16(15)25(21)19(18)14-11-13(22)9-10-17(14)27-3/h5-11,19H,4H2,1-3H3,(H,23,24)