9-butyl-N-phenyl-6-[2,2,2-tris(fluoranyl)ethoxy]purin-2-amine

Systemtic Name: 9-butyl-N-phenyl-6-[2,2,2-tris(fluoranyl)ethoxy]purin-2-amine Openeye Name: 9-butyl-N-phenyl-6-(2,2,2-trifluoroethoxy)purin-2-amine CAS Name: 9-butyl-N-phenyl-6-(2,2,2-trifluoroethoxy)-2-purinamine IUPAC Name: 9-butyl-N-phenyl-6-(2,2,2-trifluoroethoxy)purin-2-amine Traditional Name: [9-butyl-6-(2,2,2-trifluoroethoxy)purin-2-yl]-phenyl-amine Formula: C17H18F3N5O MolecularWeight: 365.35293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC(F)(F)F)NC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC(F)(F)F)NC3=CC=CC=C3

InChI

InChI=1S/C17H18F3N5O/c1-2-3-9-25-11-21-13-14(25)23-16(22-12-7-5-4-6-8-12)24-15(13)26-10-17(18,19)20/h4-8,11H,2-3,9-10H2,1H3,(H,22,23,24)