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

Systemtic Name: 5-chloranyl-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine Openeye Name: 5-chloro-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine CAS Name: 5-chloro-N-(4-nitrophenyl)-2,6-bis(1-pyridin-1-iumyl)-4-pyrimidinamine IUPAC Name: 5-chloro-N-(4-nitrophenyl)-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-amine Traditional Name: [5-chloro-2,6-di(pyridin-1-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)amine Formula: C20H15ClN6O2+2 MolecularWeight: 406.8251

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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

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

InChI

InChI=1S/C20H15ClN6O2/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)/q+2