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

Systemtic Name: 2-[2-azanyl-6-(dicyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(dicyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(dicyclopropylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(dicyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(dicyclopropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H21N6O4P MolecularWeight: 368.328101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2CC2)C3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

Isomeric SMILES

C1CC1N(C2CC2)C3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

InChI

InChI=1S/C14H21N6O4P/c15-14-17-12-11(13(18-14)20(9-1-2-9)10-3-4-10)16-7-19(12)5-6-24-8-25(21,22)23/h7,9-10H,1-6,8H2,(H2,15,17,18)(H2,21,22,23)