2-[6-azanyl-2,3-dicyano-7-(phenylsulfonyl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[6-azanyl-2,3-dicyano-7-(phenylsulfonyl)pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-azanium Openeye Name: 2-[6-amino-7-(benzenesulfonyl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethyl-ammonium CAS Name: 2-[6-amino-7-(benzenesulfonyl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]ethyl-diethylammonium IUPAC Name: 2-[6-amino-7-(benzenesulfonyl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]ethyl-diethylazanium Traditional Name: 2-(6-amino-7-besyl-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl)ethyl-diethyl-ammonium Formula: C20H22N7O2S+ MolecularWeight: 424.49938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O2S/c1-3-26(4-2)10-11-27-19(23)18(30(28,29)14-8-6-5-7-9-14)17-20(27)25-16(13-22)15(12-21)24-17/h5-9H,3-4,10-11,23H2,1-2H3/p+1