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

Systemtic Name: 5,6-bis(chloranyl)-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine chloride Openeye Name: 5,6-dichloro-N-phenyl-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride CAS Name: 5,6-dichloro-N-phenyl-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)-4-pyrimidinamine chloride IUPAC Name: 5,6-dichloro-N-phenyl-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]-phenyl-amine chloride Formula: C20H14Cl3N5 MolecularWeight: 430.71766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl.[Cl-]

InChI

InChI=1S/C20H14Cl2N5.ClH/c21-17-18(22)25-20(26-19(17)24-16-4-2-1-3-5-16)27-12-8-15(9-13-27)14-6-10-23-11-7-14;/h1-13H,(H,24,25,26);1H/q+1;/p-1