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

Systemtic Name: 9-butyl-6-(2-fluoranylphenoxy)-N-(4-fluorophenyl)purin-2-amine Openeye Name: 9-butyl-6-(2-fluorophenoxy)-N-(4-fluorophenyl)purin-2-amine CAS Name: 9-butyl-6-(2-fluorophenoxy)-N-(4-fluorophenyl)-2-purinamine IUPAC Name: 9-butyl-6-(2-fluorophenoxy)-N-(4-fluorophenyl)purin-2-amine Traditional Name: [9-butyl-6-(2-fluorophenoxy)purin-2-yl]-(4-fluorophenyl)amine Formula: C21H19F2N5O MolecularWeight: 395.405266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3F)NC4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC3=CC=CC=C3F)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19F2N5O/c1-2-3-12-28-13-24-18-19(28)26-21(25-15-10-8-14(22)9-11-15)27-20(18)29-17-7-5-4-6-16(17)23/h4-11,13H,2-3,12H2,1H3,(H,25,26,27)