6-(4-aminophenyl)-N8-(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide

Systemtic Name: 6-(4-aminophenyl)-N8-(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide Openeye Name: N8-(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide CAS Name: N8-(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine dibromide IUPAC Name: 8-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine dibromide Traditional Name: [3-amino-6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-8-yl]-(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amine dibromide Formula: C26H27Br2N7 MolecularWeight: 597.34748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC3=C([N+](=C4C=C(C=CC4=C3C=C2)N)C)C5=CC=C(C=C5)N.[Br-].[Br-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC3=C([N+](=C4C=C(C=CC4=C3C=C2)N)C)C5=CC=C(C=C5)N.[Br-].[Br-]

InChI

InChI=1S/C26H25N7.2BrH/c1-15-12-24(31-26(29)32(15)2)30-19-9-11-20-21-10-8-18(28)13-23(21)33(3)25(22(20)14-19)16-4-6-17(27)7-5-16;;/h4-14H,1-3H3,(H5,27,28,29,30,31);2*1H