2-[6-(1H-imidazol-5-yl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(1H-imidazol-5-yl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(1H-imidazol-5-yl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(1H-imidazol-5-yl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(1H-imidazol-5-yl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(1H-imidazol-5-yl)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H13N6O4P MolecularWeight: 324.232481

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

Isomeric SMILES

C1=C(NC=N1)C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

InChI

InChI=1S/C11H13N6O4P/c18-22(19,20)7-21-2-1-17-6-16-10-9(8-3-12-4-13-8)14-5-15-11(10)17/h3-6H,1-2,7H2,(H,12,13)(H2,18,19,20)