3-(6-aminopurin-9-yl)oxypropoxymethylphosphonic acid

Systemtic Name: 3-(6-aminopurin-9-yl)oxypropoxymethylphosphonic acid Openeye Name: 3-(6-aminopurin-9-yl)oxypropoxymethylphosphonic acid CAS Name: 3-(6-aminopurin-9-yl)oxypropoxymethylphosphonic acid IUPAC Name: 3-(6-aminopurin-9-yl)oxypropoxymethylphosphonic acid Traditional Name: 3-adenin-9-yloxypropoxymethylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OCCCOCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OCCCOCP(=O)(O)O

InChI

InChI=1S/C9H14N5O5P/c10-8-7-9(12-4-11-8)14(5-13-7)19-3-1-2-18-6-20(15,16)17/h4-5H,1-3,6H2,(H2,10,11,12)(H2,15,16,17)