[2-[6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid

Systemtic Name: [2-[6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Openeye Name: [2-[6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid CAS Name: [2-[6-(cyclopropylamino)-9-purinyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid IUPAC Name: [2-[6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Traditional Name: [2-[6-(cyclopropylamino)purin-9-yl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid Formula: C13H21N5O8P2 MolecularWeight: 437.282062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=NC3=C2N=CN3C(COCP(=O)(O)O)COCP(=O)(O)O

Isomeric SMILES

C1CC1NC2=NC=NC3=C2N=CN3C(COCP(=O)(O)O)COCP(=O)(O)O

InChI

InChI=1S/C13H21N5O8P2/c19-27(20,21)7-25-3-10(4-26-8-28(22,23)24)18-6-16-11-12(17-9-1-2-9)14-5-15-13(11)18/h5-6,9-10H,1-4,7-8H2,(H,14,15,17)(H2,19,20,21)(H2,22,23,24)