2-[1-[1-(2-acetamido-6-chloranyl-purin-9-yl)ethoxy]ethoxy]propan-2-ylphosphonic acid

Systemtic Name: 2-[1-[1-(2-acetamido-6-chloranyl-purin-9-yl)ethoxy]ethoxy]propan-2-ylphosphonic acid Openeye Name: [1-[1-[1-(2-acetamido-6-chloro-purin-9-yl)ethoxy]ethoxy]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[1-[1-(2-acetamido-6-chloro-9-purinyl)ethoxy]ethoxy]propan-2-ylphosphonic acid IUPAC Name: 2-[1-[1-(2-acetamido-6-chloropurin-9-yl)ethoxy]ethoxy]propan-2-ylphosphonic acid Traditional Name: [1-[1-[1-(2-acetamido-6-chloro-purin-9-yl)ethoxy]ethoxy]-1-methyl-ethyl]phosphonic acid Formula: C14H21ClN5O6P MolecularWeight: 421.773201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC2=C1N=C(N=C2Cl)NC(=O)C)OC(C)OC(C)(C)P(=O)(O)O

Isomeric SMILES

CC(N1C=NC2=C1N=C(N=C2Cl)NC(=O)C)OC(C)OC(C)(C)P(=O)(O)O

InChI

InChI=1S/C14H21ClN5O6P/c1-7(21)17-13-18-11(15)10-12(19-13)20(6-16-10)8(2)25-9(3)26-14(4,5)27(22,23)24/h6,8-9H,1-5H3,(H2,22,23,24)(H,17,18,19,21)