5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-(4-nitrophenyl)pyrimidin-4-amine dichloride

Systemtic Name: 5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-(4-nitrophenyl)pyrimidin-4-amine dichloride Openeye Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-(4-nitrophenyl)pyrimidin-4-amine dichloride CAS Name: 5-chloro-2,6-bis(3-methyl-1-imidazol-3-iumyl)-N-(4-nitrophenyl)-4-pyrimidinamine dichloride IUPAC Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-(4-nitrophenyl)pyrimidin-4-amine dichloride Traditional Name: [5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-yl]-(4-nitrophenyl)amine dichloride Formula: C18H17Cl3N8O2 MolecularWeight: 483.73898

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)NC4=CC=C(C=C4)[N+](=O)[O-])Cl.[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)NC4=CC=C(C=C4)[N+](=O)[O-])Cl.[Cl-].[Cl-]

InChI

InChI=1S/C18H17ClN8O2.2ClH/c1-23-7-9-25(11-23)17-15(19)16(20-13-3-5-14(6-4-13)27(28)29)21-18(22-17)26-10-8-24(2)12-26;;/h3-12H,1-2H3,(H,20,21,22);2*1H/q+2;;/p-2