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

Systemtic Name: [1-(2-azanyl-6-azido-purin-9-yl)-3-fluoranyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-azido-purin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid CAS Name: [1-(2-amino-6-azido-9-purinyl)-3-fluoropropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2-amino-6-azidopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-azido-purin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid Formula: C9H12FN8O4P MolecularWeight: 346.214944

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=C(N=C2N1CC(CF)OCP(=O)(O)O)N)N=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(N=C(N=C2N1CC(CF)OCP(=O)(O)O)N)N=[N+]=[N-]

InChI

InChI=1S/C9H12FN8O4P/c10-1-5(22-4-23(19,20)21)2-18-3-13-6-7(16-17-12)14-9(11)15-8(6)18/h3,5H,1-2,4H2,(H2,11,14,15)(H2,19,20,21)