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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

COCCNC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C11H18N5O5P/c1-20-4-2-12-10-9-11(14-6-13-10)16(7-15-9)3-5-21-8-22(17,18)19/h6-7H,2-5,8H2,1H3,(H,12,13,14)(H2,17,18,19)