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

Systemtic Name: 2-[6-azanyl-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]ethyl-dimethylammonium IUPAC Name: 2-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]ethyl-dimethyl-ammonium Formula: C19H17N8S+ MolecularWeight: 389.45688

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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=NC4=CC=CC=C4S3)N

Isomeric SMILES

C[NH+](C)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C19H16N8S/c1-26(2)7-8-27-17(22)15(19-25-11-5-3-4-6-14(11)28-19)16-18(27)24-13(10-21)12(9-20)23-16/h3-6H,7-8,22H2,1-2H3/p+1