2-(6-pyridin-2-ylpurin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-pyridin-2-ylpurin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-[6-(2-pyridyl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(2-pyridinyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(6-pyridin-2-ylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-[6-(2-pyridyl)purin-9-yl]ethoxymethylphosphonic acid Formula: C13H14N5O4P MolecularWeight: 335.255121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N5O4P/c19-23(20,21)9-22-6-5-18-8-17-12-11(15-7-16-13(12)18)10-3-1-2-4-14-10/h1-4,7-8H,5-6,9H2,(H2,19,20,21)