1-purin-9-ylpropan-2-yloxymethylphosphonic acid

Systemtic Name: 1-purin-9-ylpropan-2-yloxymethylphosphonic acid Openeye Name: (1-methyl-2-purin-9-yl-ethoxy)methylphosphonic acid CAS Name: 1-(9-purinyl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-purin-9-ylpropan-2-yloxymethylphosphonic acid Traditional Name: (1-methyl-2-purin-9-yl-ethoxy)methylphosphonic acid Formula: C9H13N4O4P MolecularWeight: 272.197681

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=CN=CN=C21)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=CN=CN=C21)OCP(=O)(O)O

InChI

InChI=1S/C9H13N4O4P/c1-7(17-6-18(14,15)16)3-13-5-12-8-2-10-4-11-9(8)13/h2,4-5,7H,3,6H2,1H3,(H2,14,15,16)