1-(6-cyclohexylpurin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(6-cyclohexylpurin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(6-cyclohexylpurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-(6-cyclohexyl-9-purinyl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(6-cyclohexylpurin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(6-cyclohexylpurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C15H23N4O4P MolecularWeight: 354.341281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C(N=CN=C21)C3CCCCC3)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C(N=CN=C21)C3CCCCC3)OCP(=O)(O)O

InChI

InChI=1S/C15H23N4O4P/c1-11(23-10-24(20,21)22)7-19-9-18-14-13(16-8-17-15(14)19)12-5-3-2-4-6-12/h8-9,11-12H,2-7,10H2,1H3,(H2,20,21,22)