2-[6-(3-methylimidazol-4-yl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(3-methylimidazol-4-yl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(3-methylimidazol-4-yl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(3-methyl-4-imidazolyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(3-methylimidazol-4-yl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(3-methylimidazol-4-yl)purin-9-yl]ethoxymethylphosphonic acid Formula: C12H15N6O4P MolecularWeight: 338.259061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N6O4P/c1-17-6-13-4-9(17)10-11-12(15-5-14-10)18(7-16-11)2-3-22-8-23(19,20)21/h4-7H,2-3,8H2,1H3,(H2,19,20,21)