2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(diethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H20N5O4P MolecularWeight: 329.292061

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CCN(CC)C1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C12H20N5O4P/c1-3-16(4-2)11-10-12(14-7-13-11)17(8-15-10)5-6-21-9-22(18,19)20/h7-8H,3-6,9H2,1-2H3,(H2,18,19,20)