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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N6O4P/c18-22(19,20)7-21-4-3-17-6-16-9-8(10-12-1-2-13-10)14-5-15-11(9)17/h1-2,5-6H,3-4,7H2,(H,12,13)(H2,18,19,20)