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

Systemtic Name: 3-[6-(dimethylamino)purin-9-yl]propoxymethylphosphonic acid Openeye Name: 3-[6-(dimethylamino)purin-9-yl]propoxymethylphosphonic acid CAS Name: 3-[6-(dimethylamino)-9-purinyl]propoxymethylphosphonic acid IUPAC Name: 3-[6-(dimethylamino)purin-9-yl]propoxymethylphosphonic acid Traditional Name: 3-[6-(dimethylamino)purin-9-yl]propoxymethylphosphonic acid Formula: C11H18N5O4P MolecularWeight: 315.265481

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2CCCOCP(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2CCCOCP(=O)(O)O

InChI

InChI=1S/C11H18N5O4P/c1-15(2)10-9-11(13-6-12-10)16(7-14-9)4-3-5-20-8-21(17,18)19/h6-7H,3-5,8H2,1-2H3,(H2,17,18,19)