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

Systemtic Name: 2-[4-azanylidene-5-(bromomethyl)-2-methyl-pyrimidin-1-yl]-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-iodophenyl)ethanone bromide CAS Name: 2-[5-(bromomethyl)-4-imino-2-methyl-1-pyrimidinyl]-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-[5-(bromomethyl)-4-imino-2-methylpyrimidin-1-yl]-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-[5-(bromomethyl)-4-imino-2-methyl-pyrimidin-1-yl]-1-(4-iodophenyl)ethanone bromide Formula: C14H13Br2IN3O- MolecularWeight: 525.98499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrIN3O.BrH/c1-9-18-14(17)11(6-15)7-19(9)8-13(20)10-2-4-12(16)5-3-10;/h2-5,7,17H,6,8H2,1H3;1H/p-1