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

Systemtic Name: [1-azido-3-[2,6-bis(azanyl)purin-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-(azidomethyl)-2-(2,6-diaminopurin-9-yl)ethoxy]methylphosphonic acid CAS Name: [1-azido-3-(2,6-diamino-9-purinyl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-azido-3-(2,6-diaminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [1-(azidomethyl)-2-(2,6-diaminopurin-9-yl)ethoxy]methylphosphonic acid Formula: C9H14N9O4P MolecularWeight: 343.239121

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CN=[N+]=[N-])OCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1CC(CN=[N+]=[N-])OCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C9H14N9O4P/c10-7-6-8(16-9(11)15-7)18(3-13-6)2-5(1-14-17-12)22-4-23(19,20)21/h3,5H,1-2,4H2,(H2,19,20,21)(H4,10,11,15,16)