2-azanyl-1-[(E)-pyridin-3-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(E)-pyridin-3-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(E)-3-pyridylmethyleneamino]-N-(2-thienylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(E)-3-pyridinylmethylideneamino]-N-(thiophen-2-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(E)-pyridin-3-ylmethylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(E)-3-pyridylmethyleneamino]-N-(2-thenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H17N7OS MolecularWeight: 427.48168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)N=CC4=CN=CC=C4)N)C(=O)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)/N=C/C4=CN=CC=C4)N)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C22H17N7OS/c23-20-18(22(30)25-13-15-6-4-10-31-15)19-21(28-17-8-2-1-7-16(17)27-19)29(20)26-12-14-5-3-9-24-11-14/h1-12H,13,23H2,(H,25,30)/b26-12+