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

Systemtic Name: 6-(furan-2-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-amine Openeye Name: 6-(2-furyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-amine CAS Name: 6-(2-furanyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2-purinamine IUPAC Name: 6-(furan-2-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-amine Traditional Name: [6-(2-furyl)-9-[4-(trifluoromethyl)benzyl]purin-2-yl]amine Formula: C17H12F3N5O MolecularWeight: 359.30529

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-10(4-6-11)8-25-9-22-14-13(12-2-1-7-26-12)23-16(21)24-15(14)25/h1-7,9H,8H2,(H2,21,23,24)