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

Systemtic Name: 2-[4-azanyl-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-amino-5-(bromomethyl)-2-methyl-1-pyrimidin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[4-amino-5-(bromomethyl)-2-methylpyrimidin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-amino-5-(bromomethyl)-2-methyl-pyrimidin-1-ium-1-yl]-1-phenyl-ethanone Formula: C14H15BrN3O+ MolecularWeight: 321.1924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O/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/p+1