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

Systemtic Name: 6-(furan-2-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purine Openeye Name: 6-(2-furyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purine CAS Name: 6-(2-furanyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purine IUPAC Name: 6-(furan-2-yl)-9-[[4-(trifluoromethyl)phenyl]methyl]purine Traditional Name: 6-(2-furyl)-9-[4-(trifluoromethyl)benzyl]purine Formula: C17H11F3N4O MolecularWeight: 344.29065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N4O/c18-17(19,20)12-5-3-11(4-6-12)8-24-10-23-15-14(13-2-1-7-25-13)21-9-22-16(15)24/h1-7,9-10H,8H2