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

Systemtic Name: [(2R)-1-[2-azanyl-6-(6-cyclohexylhexylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-[2-amino-6-(6-cyclohexylhexylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-[2-amino-6-(6-cyclohexylhexylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-[2-amino-6-(6-cyclohexylhexylamino)-7H-purin-9-ium-9-yl]propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-[2-amino-6-(6-cyclohexylhexylamino)-7H-purin-9-ium-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C21H38N6O4P+ MolecularWeight: 469.537981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2NCCCCCCC3CCCCC3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2NCCCCCCC3CCCCC3)N)OCP(=O)(O)O

InChI

InChI=1S/C21H37N6O4P/c1-16(31-15-32(28,29)30)13-27-14-24-18-19(25-21(22)26-20(18)27)23-12-8-3-2-5-9-17-10-6-4-7-11-17/h14,16-17H,2-13,15H2,1H3,(H5,22,23,25,26,28,29,30)/p+1/t16-/m1/s1