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

Systemtic Name: 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidanidylpyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxido-3-pyridin-1-iumyl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]pyrimidin-4-amine Traditional Name: [2-(4-bromophenyl)-6-methyl-pyrimidin-4-yl]-[2-(1-oxidopyridin-1-ium-3-yl)ethyl]amine Formula: C18H17BrN4O MolecularWeight: 385.25778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O/c1-13-11-17(20-9-8-14-3-2-10-23(24)12-14)22-18(21-13)15-4-6-16(19)7-5-15/h2-7,10-12H,8-9H2,1H3,(H,20,21,22)