[(2S,4S)-4-(6-azanyl-2-fluoranyl-purin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,4S)-4-(6-azanyl-2-fluoranyl-purin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Openeye Name: [(2S,4S)-4-(6-amino-2-fluoro-purin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-4-(6-amino-2-fluoro-9-purinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [(2S,4S)-4-(6-amino-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-4-(6-amino-2-fluoro-purin-9-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C16H14FN5O4 MolecularWeight: 359.311863

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4N)F

Isomeric SMILES

C1[C@H](O[C@H](O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4N)F

InChI

InChI=1S/C16H14FN5O4/c17-16-20-13(18)12-14(21-16)22(8-19-12)10-6-24-11(26-10)7-25-15(23)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H2,18,20,21)/t10-,11-/m0/s1