2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[4-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[4-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C14H15Br2N3O MolecularWeight: 401.0964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CBr)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CBr)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H14BrN3O.BrH/c1-10-17-14(16)12(7-15)8-18(10)9-13(19)11-5-3-2-4-6-11;/h2-6,8,16H,7,9H2,1H3;1H