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

Systemtic Name: 2-[6-(2-oxidanylpropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(2-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(2-hydroxypropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(2-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(2-hydroxypropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O)O

Isomeric SMILES

CC(CNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O)O

InChI

InChI=1S/C11H18N5O5P/c1-8(17)4-12-10-9-11(14-5-13-10)16(6-15-9)2-3-21-7-22(18,19)20/h5-6,8,17H,2-4,7H2,1H3,(H,12,13,14)(H2,18,19,20)