2-[6-azanyl-2,3-dicyano-7-(4-oxidanylidene-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[6-azanyl-2,3-dicyano-7-(4-oxidanylidene-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-amino-2,3-dicyano-7-(4-oxo-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-amino-2,3-dicyano-7-(4-oxo-1H-quinazolin-2-yl)-5-pyrrolo[2,3-b]pyrazinyl]ethyl-dimethylammonium IUPAC Name: 2-[6-amino-2,3-dicyano-7-(4-oxo-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[6-amino-2,3-dicyano-7-(4-keto-1H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium Formula: C20H18N9O+ MolecularWeight: 400.41662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC(=O)C4=CC=CC=C4N3)N

Isomeric SMILES

C[NH+](C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC(=O)C4=CC=CC=C4N3)N

InChI

InChI=1S/C20H17N9O/c1-28(2)7-8-29-17(23)15(16-19(29)26-14(10-22)13(9-21)24-16)18-25-12-6-4-3-5-11(12)20(30)27-18/h3-6H,7-8,23H2,1-2H3,(H,25,27,30)/p+1