2,6-bis(azanyl)-N-[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]hexanamide trihydrobromide

Systemtic Name: 2,6-bis(azanyl)-N-[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]hexanamide trihydrobromide Openeye Name: 2,6-diamino-N-[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxo-ethyl]hexanamide trihydrobromide CAS Name: 2,6-diamino-N-[2-[4-bromo-2-[oxo(2-pyridinyl)methyl]anilino]-2-oxoethyl]hexanamide trihydrobromide IUPAC Name: 2,6-diamino-N-[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxoethyl]hexanamide trihydrobromide Traditional Name: 2,6-diamino-N-[2-(4-bromo-2-picolinoyl-anilino)-2-keto-ethyl]hexanamide trihydrobromide Formula: C20H27Br4N5O3 MolecularWeight: 705.07608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C(CCCCN)N.Br.Br.Br

Isomeric SMILES

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)C(CCCCN)N.Br.Br.Br

InChI

InChI=1S/C20H24BrN5O3.3BrH/c21-13-7-8-16(14(11-13)19(28)17-6-2-4-10-24-17)26-18(27)12-25-20(29)15(23)5-1-3-9-22;;;/h2,4,6-8,10-11,15H,1,3,5,9,12,22-23H2,(H,25,29)(H,26,27);3*1H