[1-azanyl-1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone

Systemtic Name: [1-azanyl-1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone Openeye Name: [1-amino-1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone CAS Name: [1-amino-1-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-phenylmethanone IUPAC Name: [1-amino-1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenylmethanone Traditional Name: [1-amino-1-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-phenyl-methanone Formula: C26H22N7O3+ MolecularWeight: 480.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H22N7O3/c1-17(19-8-5-9-21(14-19)32(35)36)30-26-28-13-12-24(31-26)33(27)16-29-22-15-20(10-11-23(22)33)25(34)18-6-3-2-4-7-18/h2-17H,27H2,1H3,(H,28,30,31)/q+1