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

Systemtic Name: 2-[6-(1-methylimidazol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(1-methylimidazol-2-yl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(1-methyl-2-imidazolyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(1-methylimidazol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(1-methylimidazol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H15N6O4P MolecularWeight: 338.259061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

Isomeric SMILES

CN1C=CN=C1C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

InChI

InChI=1S/C12H15N6O4P/c1-17-3-2-13-11(17)9-10-12(15-6-14-9)18(7-16-10)4-5-22-8-23(19,20)21/h2-3,6-7H,4-5,8H2,1H3,(H2,19,20,21)