6-azanyl-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-phenylazanyl-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

Systemtic Name: 6-azanyl-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)-5-phenylazanyl-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Openeye Name: 6-amino-5-anilino-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile CAS Name: 6-amino-5-anilino-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile IUPAC Name: 6-amino-5-anilino-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Traditional Name: 6-amino-5-anilino-7-(3-ethyl-1H-benzimidazol-3-ium-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile Formula: C23H18N9+ MolecularWeight: 420.44932

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=CC=CC=C21)C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC=CC=C5)N

Isomeric SMILES

CC[N+]1=C(NC2=CC=CC=C21)C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC=CC=C5)N

InChI

InChI=1S/C23H17N9/c1-2-31-18-11-7-6-10-15(18)28-22(31)19-20-23(29-17(13-25)16(12-24)27-20)32(21(19)26)30-14-8-4-3-5-9-14/h3-11,30H,2H2,1H3,(H2,26,27,28)/p+1