[1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-2-oxidanyl-ethoxy]methylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxy]-2-oxidanyl-ethoxy]methylphosphonic acid Openeye Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-2-hydroxyethoxy]methylphosphonic acid IUPAC Name: [1-[(2-amino-6-oxo-3H-purin-9-yl)oxy]-2-hydroxyethoxy]methylphosphonic acid Traditional Name: [1-[(2-amino-6-keto-3H-purin-9-yl)oxy]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C8H12N5O7P MolecularWeight: 321.183941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OC(CO)OCP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1OC(CO)OCP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C8H12N5O7P/c9-8-11-6-5(7(15)12-8)10-2-13(6)20-4(1-14)19-3-21(16,17)18/h2,4,14H,1,3H2,(H2,16,17,18)(H3,9,11,12,15)