[(2R)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-fluoranyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-(2-amino-6-oxo-3H-purin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid Formula: C9H13FN5O5P MolecularWeight: 321.202184

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CF)OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C[C@H](CF)OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13FN5O5P/c10-1-5(20-4-21(17,18)19)2-15-3-12-6-7(15)13-9(11)14-8(6)16/h3,5H,1-2,4H2,(H2,17,18,19)(H3,11,13,14,16)/t5-/m0/s1