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

Systemtic Name: 6-(4-aminophenyl)-N8-(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)-5-ethyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: N8-(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)-6-(4-aminophenyl)-5-ethyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: N8-(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)-6-(4-aminophenyl)-5-ethylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 8-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-6-(4-aminophenyl)-5-ethylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-6-(4-aminophenyl)-5-ethyl-phenanthridin-5-ium-8-yl]-(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amine bromide Formula: C27H29BrN7+ MolecularWeight: 531.47006

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)N)NC5=NC(=[N+](C(=C5)C)C)N)N.[Br-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)N)NC5=NC(=[N+](C(=C5)C)C)N)N.[Br-]

InChI

InChI=1S/C27H27N7.BrH/c1-4-34-24-14-19(29)9-11-22(24)21-12-10-20(31-25-13-16(2)33(3)27(30)32-25)15-23(21)26(34)17-5-7-18(28)8-6-17;/h5-15H,4H2,1-3H3,(H5,28,29,30,31,32);1H/p+1