N-[6-azanyl-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]benzamide Openeye Name: N-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]benzamide CAS Name: N-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-5-pyrrolo[2,3-b]pyrazinyl]benzamide IUPAC Name: N-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyanopyrrolo[2,3-b]pyrazin-5-yl]benzamide Traditional Name: N-[6-amino-7-(1,3-benzothiazol-2-yl)-2,3-dicyano-pyrrolo[2,3-b]pyrazin-5-yl]benzamide Formula: C22H12N8OS MolecularWeight: 436.44868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NN2C(=C(C3=NC(=C(N=C32)C#N)C#N)C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C22H12N8OS/c23-10-14-15(11-24)27-20-18(26-14)17(22-28-13-8-4-5-9-16(13)32-22)19(25)30(20)29-21(31)12-6-2-1-3-7-12/h1-9H,25H2,(H,29,31)