9-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)purin-2-amine

Systemtic Name: 9-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)purin-2-amine Openeye Name: 9-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(2-furyl)purin-2-amine CAS Name: 9-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(2-furanyl)-2-purinamine IUPAC Name: 9-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-(furan-2-yl)purin-2-amine Traditional Name: [9-[3-fluoro-4-(trifluoromethyl)benzyl]-6-(2-furyl)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=CC(=C(C=C4)C(F)(F)F)F

Isomeric SMILES

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

InChI

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