1-[2-azanyl-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[2-azanyl-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[2-amino-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[2-amino-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-(2-cyclohexylheptylamino)-7,8-dihydropurin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C22H41N6O4P MolecularWeight: 484.572501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC1=NC(=NC2=C1NCN2CC(C)OCP(=O)(O)O)N)C3CCCCC3

Isomeric SMILES

CCCCCC(CNC1=NC(=NC2=C1NCN2CC(C)OCP(=O)(O)O)N)C3CCCCC3

InChI

InChI=1S/C22H41N6O4P/c1-3-4-6-11-18(17-9-7-5-8-10-17)12-24-20-19-21(27-22(23)26-20)28(14-25-19)13-16(2)32-15-33(29,30)31/h16-18,25H,3-15H2,1-2H3,(H2,29,30,31)(H3,23,24,26,27)