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

Systemtic Name: N-[1-[2-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide Openeye Name: N-[1-[2-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide CAS Name: N-[1-[2-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-1-isoquinolinamine hydrobromide IUPAC Name: N-[1-[2-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine hydrobromide Traditional Name: 1-[2-(5-fluoropyrimidin-2-yl)piperazino]butyl-(1-isoquinolyl)amine hydrobromide Formula: C21H26BrFN6 MolecularWeight: 461.373743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN6.BrH/c1-2-5-19(27-20-17-7-4-3-6-15(17)8-9-24-20)28-11-10-23-14-18(28)21-25-12-16(22)13-26-21;/h3-4,6-9,12-13,18-19,23H,2,5,10-11,14H2,1H3,(H,24,27);1H