2-[5-(6-aminopurin-9-yl)oxolan-2-yl]-2-oxidanyl-1-[3-(trifluoromethyl)phenyl]ethanone

Systemtic Name: 2-[5-(6-aminopurin-9-yl)oxolan-2-yl]-2-oxidanyl-1-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 2-[5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 2-[5-(6-aminopurin-9-yl)-2-oxolanyl]-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 2-[5-(6-aminopurin-9-yl)oxolan-2-yl]-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 2-(5-adenin-9-yltetrahydrofuran-2-yl)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethanone Formula: C18H16F3N5O3 MolecularWeight: 407.34655

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1C(C(=O)C2=CC(=CC=C2)C(F)(F)F)O)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CC(OC1C(C(=O)C2=CC(=CC=C2)C(F)(F)F)O)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C18H16F3N5O3/c19-18(20,21)10-3-1-2-9(6-10)14(27)15(28)11-4-5-12(29-11)26-8-25-13-16(22)23-7-24-17(13)26/h1-3,6-8,11-12,15,28H,4-5H2,(H2,22,23,24)