2-[2-azanyl-6-[2-(phosphonomethoxy)ethylamino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[2-(phosphonomethoxy)ethylamino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[2-(phosphonomethoxy)ethylamino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[2-(phosphonomethoxy)ethylamino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[2-(phosphonomethoxy)ethylamino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[2-(phosphonomethoxy)ethylamino]purin-9-yl]ethoxymethylphosphonic acid Formula: C11H20N6O8P2 MolecularWeight: 426.259422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCOCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N1CCOCP(=O)(O)O)N=C(N=C2NCCOCP(=O)(O)O)N

InChI

InChI=1S/C11H20N6O8P2/c12-11-15-9(13-1-3-24-6-26(18,19)20)8-10(16-11)17(5-14-8)2-4-25-7-27(21,22)23/h5H,1-4,6-7H2,(H2,18,19,20)(H2,21,22,23)(H3,12,13,15,16)