2-butoxy-9-[[3-(4-fluoranylphenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine

Systemtic Name: 2-butoxy-9-[[3-(4-fluoranylphenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Openeye Name: 2-butoxy-9-[[3-(4-fluorophenoxy)phenyl]methyl]-N-(2-morpholinoethyl)purin-6-amine CAS Name: 2-butoxy-9-[[3-(4-fluorophenoxy)phenyl]methyl]-N-[2-(4-morpholinyl)ethyl]-6-purinamine IUPAC Name: 2-butoxy-9-[[3-(4-fluorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)purin-6-amine Traditional Name: [2-butoxy-9-[3-(4-fluorophenoxy)benzyl]purin-6-yl]-(2-morpholinoethyl)amine Formula: C28H33FN6O3 MolecularWeight: 520.598423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC(=CC=C4)OC5=CC=C(C=C5)F

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCCN3CCOCC3)N=CN2CC4=CC(=CC=C4)OC5=CC=C(C=C5)F

InChI

InChI=1S/C28H33FN6O3/c1-2-3-15-37-28-32-26(30-11-12-34-13-16-36-17-14-34)25-27(33-28)35(20-31-25)19-21-5-4-6-24(18-21)38-23-9-7-22(29)8-10-23/h4-10,18,20H,2-3,11-17,19H2,1H3,(H,30,32,33)