2-[4-azanylidene-5-(bromomethyl)-2-methyl-pyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[4-azanylidene-5-(bromomethyl)-2-methyl-pyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[5-(bromomethyl)-4-imino-2-methyl-1-pyrimidinyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[5-(bromomethyl)-4-imino-2-methylpyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C15H16Br2N3O2- MolecularWeight: 430.11444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=N)C(=CN1CC(=O)C2=CC=C(C=C2)OC)CBr.[Br-]

Isomeric SMILES

CC1=NC(=N)C(=CN1CC(=O)C2=CC=C(C=C2)OC)CBr.[Br-]

InChI

InChI=1S/C15H16BrN3O2.BrH/c1-10-18-15(17)12(7-16)8-19(10)9-14(20)11-3-5-13(21-2)6-4-11;/h3-6,8,17H,7,9H2,1-2H3;1H/p-1