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

Systemtic Name: 2-(2-azanyl-6-oxidanylidene-7H-purin-1-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-oxo-7H-purin-1-yl)ethoxymethylphosphonic acid CAS Name: 2-(2-amino-6-oxo-7H-purin-1-yl)ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-oxo-7H-purin-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2-amino-6-keto-7H-purin-1-yl)ethoxymethylphosphonic acid Formula: C8H12N5O5P MolecularWeight: 289.185141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=N2)N)CCOCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=N2)N)CCOCP(=O)(O)O

InChI

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