[1-(2-azanylpurin-9-yl)-3-azido-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(2-azanylpurin-9-yl)-3-azido-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(2-aminopurin-9-yl)methyl]-2-azido-ethoxy]methylphosphonic acid CAS Name: [1-(2-amino-9-purinyl)-3-azidopropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(2-aminopurin-9-yl)-3-azidopropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(2-aminopurin-9-yl)methyl]-2-azido-ethoxy]methylphosphonic acid Formula: C9H13N8O4P MolecularWeight: 328.224481

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC(=N1)N)N(C=N2)CC(CN=[N+]=[N-])OCP(=O)(O)O

Isomeric SMILES

C1=C2C(=NC(=N1)N)N(C=N2)CC(CN=[N+]=[N-])OCP(=O)(O)O

InChI

InChI=1S/C9H13N8O4P/c10-9-12-2-7-8(15-9)17(4-13-7)3-6(1-14-16-11)21-5-22(18,19)20/h2,4,6H,1,3,5H2,(H2,10,12,15)(H2,18,19,20)