5-chloranyl-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine dichloride

Systemtic Name: 5-chloranyl-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine dichloride Openeye Name: 5-chloro-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine dichloride CAS Name: 5-chloro-N-(4-nitrophenyl)-2,6-bis(1-pyridin-1-iumyl)-4-pyrimidinamine dichloride IUPAC Name: 5-chloro-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine dichloride Traditional Name: [5-chloro-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)amine dichloride Formula: C20H15Cl3N6O2 MolecularWeight: 477.7311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)[N+](=O)[O-])Cl.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=NC(=N2)[N+]3=CC=CC=C3)NC4=CC=C(C=C4)[N+](=O)[O-])Cl.[Cl-].[Cl-]

InChI

InChI=1S/C20H15ClN6O2.2ClH/c21-17-18(22-15-7-9-16(10-8-15)27(28)29)23-20(26-13-5-2-6-14-26)24-19(17)25-11-3-1-4-12-25;;/h1-14H,(H,22,23,24);2*1H/q+2;;/p-2