1-(6-oxidanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(6-oxidanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [1-methyl-2-(6-oxo-3H-purin-9-yl)ethoxy]methylphosphonic acid CAS Name: 1-(6-oxo-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(6-oxo-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(6-keto-3H-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H13N4O5P MolecularWeight: 288.197081

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1NC=NC2=O)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1NC=NC2=O)OCP(=O)(O)O

InChI

InChI=1S/C9H13N4O5P/c1-6(18-5-19(15,16)17)2-13-4-12-7-8(13)10-3-11-9(7)14/h3-4,6H,2,5H2,1H3,(H,10,11,14)(H2,15,16,17)