[3-[6-(dimethylamino)purin-7-yl]-2-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [3-[6-(dimethylamino)purin-7-yl]-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-[6-(dimethylamino)purin-7-yl]-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-[6-(dimethylamino)-7-purinyl]-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-[6-(dimethylamino)purin-7-yl]-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-[6-(dimethylamino)purin-7-yl]-2-hydroxy-propoxy]methylphosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N(C=N2)CC(COCP(=O)(O)O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N(C=N2)CC(COCP(=O)(O)O)O

InChI

InChI=1S/C11H18N5O5P/c1-15(2)11-9-10(12-5-13-11)14-6-16(9)3-8(17)4-21-7-22(18,19)20/h5-6,8,17H,3-4,7H2,1-2H3,(H2,18,19,20)