2-(6-aminopurin-9-yl)-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[[2-(trifluoromethyl)phenyl]methoxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[2-(trifluoromethyl)benzyl]oxymethyl]tetrahydrofuran-3,4-diol Formula: C18H18F3N5O4 MolecularWeight: 425.36183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)COCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O4/c19-18(20,21)10-4-2-1-3-9(10)5-29-6-11-13(27)14(28)17(30-11)26-8-25-12-15(22)23-7-24-16(12)26/h1-4,7-8,11,13-14,17,27-28H,5-6H2,(H2,22,23,24)