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

Systemtic Name: methyl 4-(5-bromanyl-2-methoxy-phenyl)-2-(methoxymethyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Openeye Name: methyl 4-(5-bromo-2-methoxy-phenyl)-2-(methoxymethyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-2-(methoxymethyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-methoxyphenyl)-2-(methoxymethyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-2-(methoxymethyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylic acid methyl ester Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)Br)OC)C(=O)OC

Isomeric SMILES

COCC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=C(C=CC(=C4)Br)OC)C(=O)OC

InChI

InChI=1S/C21H20BrN3O4/c1-27-11-15-18(20(26)29-3)19(13-10-12(22)8-9-17(13)28-2)25-16-7-5-4-6-14(16)23-21(25)24-15/h4-10,19H,11H2,1-3H3,(H,23,24)