N-[2-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide

Systemtic Name: N-[2-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide Openeye Name: N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide CAS Name: N-[2-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]ethyl]-1-isoquinolinamine hydrobromide IUPAC Name: N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]isoquinolin-1-amine hydrobromide Traditional Name: 2-[4-(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:

C1CN(CCN1CCNC2=NC=CC3=CC=CC=C32)C4=NC=C(C=N4)F.Br

Isomeric SMILES

C1CN(CCN1CCNC2=NC=CC3=CC=CC=C32)C4=NC=C(C=N4)F.Br

InChI

InChI=1S/C19H21FN6.BrH/c20-16-13-23-19(24-14-16)26-11-9-25(10-12-26)8-7-22-18-17-4-2-1-3-15(17)5-6-21-18;/h1-6,13-14H,7-12H2,(H,21,22);1H