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

Systemtic Name: [(2R)-1-[2-azanyl-6-(7-cyclohexylheptylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(7-cyclohexylheptylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(7-cyclohexylheptylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(7-cyclohexylheptylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(7-cyclohexylheptylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C22H40N6O4P+ MolecularWeight: 483.564561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2NCCCCCCCC3CCCCC3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2NCCCCCCCC3CCCCC3)N)OCP(=O)(O)O

InChI

InChI=1S/C22H39N6O4P/c1-17(32-16-33(29,30)31)14-28-15-25-19-20(26-22(23)27-21(19)28)24-13-9-4-2-3-6-10-18-11-7-5-8-12-18/h15,17-18H,2-14,16H2,1H3,(H5,23,24,26,27,29,30,31)/p+1/t17-/m1/s1