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

Systemtic Name: 2-[6-azanyl-7-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]ethyl-dimethylammonium IUPAC Name: 2-[6-amino-7-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[6-amino-7-(6-bromo-4-keto-1H-quinazolin-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium Formula: C20H17BrN9O+ MolecularWeight: 479.31268

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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=C(N3)C=CC(=C4)Br)N

Isomeric SMILES

C[NH+](C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)N

InChI

InChI=1S/C20H16BrN9O/c1-29(2)5-6-30-17(24)15(16-19(30)27-14(9-23)13(8-22)25-16)18-26-12-4-3-10(21)7-11(12)20(31)28-18/h3-4,7H,5-6,24H2,1-2H3,(H,26,28,31)/p+1