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

Systemtic Name: 2-[2-azanyl-6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(diethylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(diethylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H21N6O4P MolecularWeight: 344.306701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N6O4P/c1-3-17(4-2)10-9-11(16-12(13)15-10)18(7-14-9)5-6-22-8-23(19,20)21/h7H,3-6,8H2,1-2H3,(H2,13,15,16)(H2,19,20,21)