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

Systemtic Name: ethyl 4-(2-bromanyl-3-fluoranyl-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-(2-bromo-3-fluoro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(2-bromo-3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-3-fluorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(2-bromo-3-fluoro-phenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C20H17BrFN3O2 MolecularWeight: 430.270283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFN3O2/c1-3-27-19(26)16-11(2)23-20-24-14-9-4-5-10-15(14)25(20)18(16)12-7-6-8-13(22)17(12)21/h4-10,18H,3H2,1-2H3,(H,23,24)