2-[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid

Systemtic Name: 2-[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid Openeye Name: 2-[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid CAS Name: 2-[[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]-4-pyrimidinyl]oxy]ethoxymethylphosphonic acid IUPAC Name: 2-[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid Traditional Name: 2-[2-(cyclopropylamino)-6-[2-(phosphonomethoxy)ethoxy]pyrimidin-4-yl]oxyethoxymethylphosphonic acid Formula: C13H23N3O10P2 MolecularWeight: 443.283342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=CC(=N2)OCCOCP(=O)(O)O)OCCOCP(=O)(O)O

Isomeric SMILES

C1CC1NC2=NC(=CC(=N2)OCCOCP(=O)(O)O)OCCOCP(=O)(O)O

InChI

InChI=1S/C13H23N3O10P2/c17-27(18,19)8-23-3-5-25-11-7-12(16-13(15-11)14-10-1-2-10)26-6-4-24-9-28(20,21)22/h7,10H,1-6,8-9H2,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)