3-[2,6-bis(azanyl)purin-9-yl]oxypropoxymethylphosphonic acid

Systemtic Name: 3-[2,6-bis(azanyl)purin-9-yl]oxypropoxymethylphosphonic acid Openeye Name: 3-(2,6-diaminopurin-9-yl)oxypropoxymethylphosphonic acid CAS Name: 3-[(2,6-diamino-9-purinyl)oxy]propoxymethylphosphonic acid IUPAC Name: 3-(2,6-diaminopurin-9-yl)oxypropoxymethylphosphonic acid Traditional Name: 3-(2,6-diaminopurin-9-yl)oxypropoxymethylphosphonic acid Formula: C9H15N6O5P MolecularWeight: 318.226361

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OCCCOCP(=O)(O)O)N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1OCCCOCP(=O)(O)O)N=C(N=C2N)N

InChI

InChI=1S/C9H15N6O5P/c10-7-6-8(14-9(11)13-7)15(4-12-6)20-3-1-2-19-5-21(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H4,10,11,13,14)