N-[9-butyl-6-(2-fluoranylethoxy)purin-2-yl]quinolin-3-amine

Systemtic Name: N-[9-butyl-6-(2-fluoranylethoxy)purin-2-yl]quinolin-3-amine Openeye Name: N-[9-butyl-6-(2-fluoroethoxy)purin-2-yl]quinolin-3-amine CAS Name: N-[9-butyl-6-(2-fluoroethoxy)-2-purinyl]-3-quinolinamine IUPAC Name: N-[9-butyl-6-(2-fluoroethoxy)purin-2-yl]quinolin-3-amine Traditional Name: [9-butyl-6-(2-fluoroethoxy)purin-2-yl]-(3-quinolyl)amine Formula: C20H21FN6O MolecularWeight: 380.418743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCCF)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCCF)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C20H21FN6O/c1-2-3-9-27-13-23-17-18(27)25-20(26-19(17)28-10-8-21)24-15-11-14-6-4-5-7-16(14)22-12-15/h4-7,11-13H,2-3,8-10H2,1H3,(H,24,25,26)