2-[(6-azanyl-2-oxidanylidene-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid

Systemtic Name: 2-[(6-azanyl-2-oxidanylidene-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid Openeye Name: 2-[(6-amino-2-oxo-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid CAS Name: 2-[(6-amino-2-oxo-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid IUPAC Name: 2-[(6-amino-2-oxo-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid Traditional Name: 2-[(6-amino-2-keto-1,7-dihydropurin-8-yl)oxy]ethoxymethylphosphonic acid Formula: C8H12N5O6P MolecularWeight: 305.184541

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Descriptors Computed from Structure

Canonical SMILES:

C(COC1=NC2=NC(=O)NC(=C2N1)N)OCP(=O)(O)O

Isomeric SMILES

C(COC1=NC2=NC(=O)NC(=C2N1)N)OCP(=O)(O)O

InChI

InChI=1S/C8H12N5O6P/c9-5-4-6(12-7(14)11-5)13-8(10-4)19-2-1-18-3-20(15,16)17/h1-3H2,(H2,15,16,17)(H4,9,10,11,12,13,14)