2-(2-azanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(2-azanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-3-yl)-1-phenyl-ethanone bromide Formula: C15H16BrN5O MolecularWeight: 362.22444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N(C(=N2)N)CC(=O)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N(C(=N2)N)CC(=O)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C15H16N5O.BrH/c1-10-8-11(2)20-15(17-10)19(14(16)18-20)9-13(21)12-6-4-3-5-7-12;/h3-8H,9H2,1-2H3,(H2,16,18);1H/q+1;/p-1