methyl 5-(2-azanylethyl)-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazole-4-carboxylate trihydrobromide

Systemtic Name: methyl 5-(2-azanylethyl)-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazole-4-carboxylate trihydrobromide Openeye Name: methyl 5-(2-aminoethyl)-2-(2-pyridylmethylsulfanyl)-1H-imidazole-4-carboxylate trihydrobromide CAS Name: 5-(2-aminoethyl)-2-(2-pyridinylmethylthio)-1H-imidazole-4-carboxylic acid methyl ester trihydrobromide IUPAC Name: methyl 5-(2-aminoethyl)-2-(pyridin-2-ylmethylsulfanyl)-1H-imidazole-4-carboxylate trihydrobromide Traditional Name: 5-(2-aminoethyl)-2-(2-pyridylmethylthio)-1H-imidazole-4-carboxylic acid methyl ester trihydrobromide Formula: C13H19Br3N4O2S MolecularWeight: 535.09256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=N1)SCC2=CC=CC=N2)CCN.Br.Br.Br

Isomeric SMILES

COC(=O)C1=C(NC(=N1)SCC2=CC=CC=N2)CCN.Br.Br.Br

InChI

InChI=1S/C13H16N4O2S.3BrH/c1-19-12(18)11-10(5-6-14)16-13(17-11)20-8-9-4-2-3-7-15-9;;;/h2-4,7H,5-6,8,14H2,1H3,(H,16,17);3*1H