9-butyl-6-(4-fluoranylphenoxy)-N-phenyl-purin-2-amine

Systemtic Name: 9-butyl-6-(4-fluoranylphenoxy)-N-phenyl-purin-2-amine Openeye Name: 9-butyl-6-(4-fluorophenoxy)-N-phenyl-purin-2-amine CAS Name: 9-butyl-6-(4-fluorophenoxy)-N-phenyl-2-purinamine IUPAC Name: 9-butyl-6-(4-fluorophenoxy)-N-phenylpurin-2-amine Traditional Name: [9-butyl-6-(4-fluorophenoxy)purin-2-yl]-phenyl-amine Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=C(C=C3)F)NC4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=C(C=C3)F)NC4=CC=CC=C4

InChI

InChI=1S/C21H20FN5O/c1-2-3-13-27-14-23-18-19(27)25-21(24-16-7-5-4-6-8-16)26-20(18)28-17-11-9-15(22)10-12-17/h4-12,14H,2-3,13H2,1H3,(H,24,25,26)