5,6-bis(chloranyl)-N-(4-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride

Systemtic Name: 5,6-bis(chloranyl)-N-(4-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride Openeye Name: 5,6-dichloro-N-(4-nitrophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride CAS Name: 5,6-dichloro-N-(4-nitrophenyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)-4-pyrimidinamine chloride IUPAC Name: 5,6-dichloro-N-(4-nitrophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride Traditional Name: [5,6-dichloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-yl]-(4-nitrophenyl)amine chloride Formula: C20H13Cl3N6O2 MolecularWeight: 475.71522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H13Cl2N6O2.ClH/c21-17-18(22)25-20(26-19(17)24-15-1-3-16(4-2-15)28(29)30)27-11-7-14(8-12-27)13-5-9-23-10-6-13;/h1-12H,(H,24,25,26);1H/q+1;/p-1