2-(5-bromanyl-2-fluoranyl-phenyl)-6-methyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine

Systemtic Name: 2-(5-bromanyl-2-fluoranyl-phenyl)-6-methyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(5-bromo-2-fluoro-phenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(5-bromo-2-fluorophenyl)-6-methyl-N-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(5-bromo-2-fluorophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Traditional Name: [2-(5-bromo-2-fluoro-phenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]amine Formula: C18H16BrFN4O MolecularWeight: 403.248243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=C(C=CC(=C2)Br)F)NCCC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C2=C(C=CC(=C2)Br)F)NCCC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H16BrFN4O/c1-12-9-17(21-7-6-13-3-2-8-24(25)11-13)23-18(22-12)15-10-14(19)4-5-16(15)20/h2-5,8-11H,6-7H2,1H3,(H,21,22,23)