N-(2-azanyl-2-phenyl-ethyl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-(2-azanyl-2-phenyl-ethyl)-4-bromanyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Openeye Name: N-(2-amino-2-phenyl-ethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide CAS Name: N-(2-amino-2-phenylethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-(2-amino-2-phenylethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Traditional Name: N-(2-amino-2-phenyl-ethyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide Formula: C20H17BrN4OS MolecularWeight: 441.34418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(S2)C3=C4C=CNC4=NC=C3)Br)N

InChI

InChI=1S/C20H17BrN4OS/c21-15-10-17(20(26)25-11-16(22)12-4-2-1-3-5-12)27-18(15)13-6-8-23-19-14(13)7-9-24-19/h1-10,16H,11,22H2,(H,23,24)(H,25,26)