[(2R)-1-[2,6-bis(azanyl)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-[2,6-bis(azanyl)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-(2,6-diamino-7H-purin-9-ium-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-(2,6-diamino-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-(2,6-diamino-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-(2,6-diamino-7H-purin-9-ium-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H16N6O4P+ MolecularWeight: 303.234901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2N)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2N)N)OCP(=O)(O)O

InChI

InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H6,10,11,13,14,16,17,18)/p+1/t5-/m1/s1