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

Systemtic Name: 2-(4-bromophenyl)-5-fluoranyl-6-methyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(4-bromophenyl)-5-fluoro-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(4-bromophenyl)-5-fluoro-6-methyl-N-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(4-bromophenyl)-5-fluoro-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Traditional Name: [2-(4-bromophenyl)-5-fluoro-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=C(C(=NC(=N1)C2=CC=C(C=C2)Br)NCCC3=C[N+](=CC=C3)[O-])F

Isomeric SMILES

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

InChI

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