3-[6-(2-dimethylaminoethylamino)purin-9-yl]propoxymethylphosphonic acid

Systemtic Name: 3-[6-(2-dimethylaminoethylamino)purin-9-yl]propoxymethylphosphonic acid Openeye Name: 3-[6-(2-dimethylaminoethylamino)purin-9-yl]propoxymethylphosphonic acid CAS Name: 3-[6-(2-dimethylaminoethylamino)-9-purinyl]propoxymethylphosphonic acid IUPAC Name: 3-[6-(2-dimethylaminoethylamino)purin-9-yl]propoxymethylphosphonic acid Traditional Name: 3-[6-(2-dimethylaminoethylamino)purin-9-yl]propoxymethylphosphonic acid Formula: C13H23N6O4P MolecularWeight: 358.333281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC=NC2=C1N=CN2CCCOCP(=O)(O)O

Isomeric SMILES

CN(C)CCNC1=NC=NC2=C1N=CN2CCCOCP(=O)(O)O

InChI

InChI=1S/C13H23N6O4P/c1-18(2)6-4-14-12-11-13(16-8-15-12)19(9-17-11)5-3-7-23-10-24(20,21)22/h8-9H,3-7,10H2,1-2H3,(H,14,15,16)(H2,20,21,22)