4-[5-(1-oxidanidylpyridin-1-ium-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine

Systemtic Name: 4-[5-(1-oxidanidylpyridin-1-ium-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine Openeye Name: 4-[5-(1-oxidopyridin-1-ium-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine CAS Name: 4-[5-(1-oxido-4-pyridin-1-iumyl)-1-benzimidazolyl]-N-(1-phenylethyl)-2-pyrimidinamine IUPAC Name: 4-[5-(1-oxidopyridin-1-ium-4-yl)benzimidazol-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine Traditional Name: [4-[5-(1-oxidopyridin-1-ium-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C24H20N6O MolecularWeight: 408.4552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C24H20N6O/c1-17(18-5-3-2-4-6-18)27-24-25-12-9-23(28-24)30-16-26-21-15-20(7-8-22(21)30)19-10-13-29(31)14-11-19/h2-17H,1H3,(H,25,27,28)