2-(6-azanyl-2,4-dimethyl-pyrimidin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide

Systemtic Name: 2-(6-azanyl-2,4-dimethyl-pyrimidin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-(6-amino-2,4-dimethyl-pyrimidin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide CAS Name: 2-(6-amino-2,4-dimethyl-1-pyrimidin-1-iumyl)-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-(6-amino-2,4-dimethylpyrimidin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-(6-amino-2,4-dimethyl-pyrimidin-1-ium-1-yl)-1-(4-iodophenyl)ethanone bromide Formula: C14H15BrIN3O MolecularWeight: 448.09687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14IN3O.BrH/c1-9-7-14(16)18(10(2)17-9)8-13(19)11-3-5-12(15)6-4-11;/h3-7,16H,8H2,1-2H3;1H