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

Systemtic Name: [1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-2-azido-ethoxy]methylphosphonic acid CAS Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-3-azidopropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2-amino-6-oxo-3H-purin-9-yl)-3-azidopropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-9-yl)methyl]-2-azido-ethoxy]methylphosphonic acid Formula: C9H13N8O5P MolecularWeight: 344.223881

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CN=[N+]=[N-])OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC(CN=[N+]=[N-])OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C9H13N8O5P/c10-9-14-7-6(8(18)15-9)12-3-17(7)2-5(1-13-16-11)22-4-23(19,20)21/h3,5H,1-2,4H2,(H2,19,20,21)(H3,10,14,15,18)