8-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)-7H-purin-2-amine

Systemtic Name: 8-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)-7H-purin-2-amine Openeye Name: 8-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(2-furyl)-7H-purin-2-amine CAS Name: 8-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(2-furanyl)-7H-purin-2-amine IUPAC Name: 8-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)-7H-purin-2-amine Traditional Name: [8-[2-fluoro-4-(trifluoromethyl)benzyl]-6-(2-furyl)-7H-purin-2-yl]amine Formula: C17H11F4N5O MolecularWeight: 377.295753

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C3C(=NC(=N2)N)N=C(N3)CC4=C(C=C(C=C4)C(F)(F)F)F

Isomeric SMILES

C1=COC(=C1)C2=C3C(=NC(=N2)N)N=C(N3)CC4=C(C=C(C=C4)C(F)(F)F)F

InChI

InChI=1S/C17H11F4N5O/c18-10-7-9(17(19,20)21)4-3-8(10)6-12-23-14-13(11-2-1-5-27-11)25-16(22)26-15(14)24-12/h1-5,7H,6H2,(H3,22,23,24,25,26)