1-(2-azanyl-6-oxidanylidene-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-oxidanylidene-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(2-amino-6-oxo-7H-purin-1-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-(2-amino-6-oxo-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-oxo-7H-purin-1-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-(2-amino-6-keto-7H-purin-1-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(N=CN2)N=C1N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C(=O)C2=C(N=CN2)N=C1N)OCP(=O)(O)O

InChI

InChI=1S/C9H14N5O5P/c1-5(19-4-20(16,17)18)2-14-8(15)6-7(12-3-11-6)13-9(14)10/h3,5H,2,4H2,1H3,(H2,10,13)(H,11,12)(H2,16,17,18)