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

Systemtic Name: 5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-phenyl-pyrimidin-4-amine dichloride Openeye Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-phenyl-pyrimidin-4-amine dichloride CAS Name: 5-chloro-2,6-bis(3-methyl-1-imidazol-3-iumyl)-N-phenyl-4-pyrimidinamine dichloride IUPAC Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)-N-phenylpyrimidin-4-amine dichloride Traditional Name: [5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-yl]-phenyl-amine dichloride Formula: C18H18Cl3N7 MolecularWeight: 438.74142

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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=CC=C4)Cl.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7.2ClH/c1-23-8-10-25(12-23)17-15(19)16(20-14-6-4-3-5-7-14)21-18(22-17)26-11-9-24(2)13-26;;/h3-13H,1-2H3,(H,20,21,22);2*1H/q+2;;/p-2