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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CN(C)CCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C12H21N6O4P/c1-17(2)4-3-13-11-10-12(15-7-14-11)18(8-16-10)5-6-22-9-23(19,20)21/h7-8H,3-6,9H2,1-2H3,(H,13,14,15)(H2,19,20,21)