2-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(6-amino-2-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-(6-amino-2-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(6-amino-2-oxo-1H-purin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-(6-amino-2-keto-1H-purin-9-yl)ethoxymethylphosphonic acid Formula: C8H12N5O5P MolecularWeight: 289.185141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(NC(=O)N=C2N1CCOCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(NC(=O)N=C2N1CCOCP(=O)(O)O)N

InChI

InChI=1S/C8H12N5O5P/c9-6-5-7(12-8(14)11-6)13(3-10-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H3,9,11,12,14)