3-[[2,4-bis(azanyl)-1H-purin-9-yl]oxy]propoxymethylphosphonic acid

Systemtic Name: 3-[[2,4-bis(azanyl)-1H-purin-9-yl]oxy]propoxymethylphosphonic acid Openeye Name: 3-[(2,4-diamino-1H-purin-9-yl)oxy]propoxymethylphosphonic acid CAS Name: 3-[(2,4-diamino-1H-purin-9-yl)oxy]propoxymethylphosphonic acid IUPAC Name: 3-[(2,4-diamino-1H-purin-9-yl)oxy]propoxymethylphosphonic acid Traditional Name: 3-[(2,4-diamino-1H-purin-9-yl)oxy]propoxymethylphosphonic acid Formula: C9H17N6O5P MolecularWeight: 320.242241

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(N=C(N1)N)(N(C=N2)OCCCOCP(=O)(O)O)N

Isomeric SMILES

C1=C2C(N=C(N1)N)(N(C=N2)OCCCOCP(=O)(O)O)N

InChI

InChI=1S/C9H17N6O5P/c10-8-12-4-7-9(11,14-8)15(5-13-7)20-3-1-2-19-6-21(16,17)18/h4-5H,1-3,6,11H2,(H3,10,12,14)(H2,16,17,18)