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

Systemtic Name: N-[4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine Openeye Name: N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine CAS Name: N-[4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]butyl]-1-isoquinolinamine IUPAC Name: N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]isoquinolin-1-amine Traditional Name: 4-[4-(5-fluoropyrimidin-2-yl)piperazino]butyl-(1-isoquinolyl)amine Formula: C21H25FN6 MolecularWeight: 380.461803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC2=NC=CC3=CC=CC=C32)C4=NC=C(C=N4)F

Isomeric SMILES

C1CN(CCN1CCCCNC2=NC=CC3=CC=CC=C32)C4=NC=C(C=N4)F

InChI

InChI=1S/C21H25FN6/c22-18-15-25-21(26-16-18)28-13-11-27(12-14-28)10-4-3-8-23-20-19-6-2-1-5-17(19)7-9-24-20/h1-2,5-7,9,15-16H,3-4,8,10-14H2,(H,23,24)