2-azanyl-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]purin-6-olate

Systemtic Name: 2-azanyl-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]purin-6-olate Openeye Name: 2-amino-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]purin-6-olate CAS Name: 2-amino-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]-6-purinolate IUPAC Name: 2-amino-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]purin-6-olate Traditional Name: 2-amino-9-[(2S)-3-azido-2-(phosphonatomethoxy)propyl]purin-6-olate Formula: C9H10N8O5P-3 MolecularWeight: 341.200061

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CN=[N+]=[N-])OCP(=O)([O-])[O-])N=C(N=C2[O-])N

Isomeric SMILES

C1=NC2=C(N1C[C@@H](CN=[N+]=[N-])OCP(=O)([O-])[O-])N=C(N=C2[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)/p-3/t5-/m1/s1