3-[6-azanyl-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-diethyl-azanium

Systemtic Name: 3-[6-azanyl-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-diethyl-azanium Openeye Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-diethyl-ammonium CAS Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]propyl-diethylammonium IUPAC Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]propyl-diethylazanium Traditional Name: 3-[6-amino-7-(1H-benzimidazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]propyl-diethyl-ammonium Formula: C22H24N9+ MolecularWeight: 414.48626

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3)N

InChI

InChI=1S/C22H23N9/c1-3-30(4-2)10-7-11-31-20(25)18(21-27-14-8-5-6-9-15(14)28-21)19-22(31)29-17(13-24)16(12-23)26-19/h5-6,8-9H,3-4,7,10-11,25H2,1-2H3,(H,27,28)/p+1