3-[1-(6-azanyl-7H-purin-2-yl)propan-2-yloxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[1-(6-azanyl-7H-purin-2-yl)propan-2-yloxy]pentan-3-ylphosphonic acid Openeye Name: [1-[2-(6-amino-7H-purin-2-yl)-1-methyl-ethoxy]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[1-(6-amino-7H-purin-2-yl)propan-2-yloxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[1-(6-amino-7H-purin-2-yl)propan-2-yloxy]pentan-3-ylphosphonic acid Traditional Name: [1-[2-(6-amino-7H-purin-2-yl)-1-methyl-ethoxy]-1-ethyl-propyl]phosphonic acid Formula: C13H22N5O4P MolecularWeight: 343.318641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC(C)CC1=NC2=C(C(=N1)N)NC=N2)P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC(C)CC1=NC2=C(C(=N1)N)NC=N2)P(=O)(O)O

InChI

InChI=1S/C13H22N5O4P/c1-4-13(5-2,23(19,20)21)22-8(3)6-9-17-11(14)10-12(18-9)16-7-15-10/h7-8H,4-6H2,1-3H3,(H2,19,20,21)(H3,14,15,16,17,18)