N-[1-[2-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide

Systemtic Name: N-[1-[2-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide Openeye Name: N-[1-[2-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide CAS Name: N-[1-[2-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]ethyl]-1-isoquinolinamine hydrobromide IUPAC Name: N-[1-[2-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide Traditional Name: 1-[2-(5-fluoropyrimidin-2-yl)piperazino]ethyl-(1-isoquinolyl)amine hydrobromide Formula: C19H22BrFN6 MolecularWeight: 433.320583

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC=CC2=CC=CC=C21)N3CCNCC3C4=NC=C(C=N4)F.Br

Isomeric SMILES

CC(NC1=NC=CC2=CC=CC=C21)N3CCNCC3C4=NC=C(C=N4)F.Br

InChI

InChI=1S/C19H21FN6.BrH/c1-13(25-18-16-5-3-2-4-14(16)6-7-22-18)26-9-8-21-12-17(26)19-23-10-15(20)11-24-19;/h2-7,10-11,13,17,21H,8-9,12H2,1H3,(H,22,25);1H