[3-(6-chloranyl-2-formamido-purin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ethanoate

Systemtic Name: [3-(6-chloranyl-2-formamido-purin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ethanoate Openeye Name: [3-(6-chloro-2-formamido-purin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] acetate CAS Name: acetic acid [3-[(6-chloro-2-formamido-9-purinyl)oxy]-2-(diethoxyphosphorylmethoxy)propyl] ester IUPAC Name: [3-(6-chloro-2-formamidopurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] acetate Traditional Name: acetic acid [3-(6-chloro-2-formamido-purin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ester Formula: C16H23ClN5O8P MolecularWeight: 479.809281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(COC(=O)C)CON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(COC(COC(=O)C)CON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

InChI

InChI=1S/C16H23ClN5O8P/c1-4-29-31(25,30-5-2)10-27-12(6-26-11(3)24)7-28-22-8-18-13-14(17)20-16(19-9-23)21-15(13)22/h8-9,12H,4-7,10H2,1-3H3,(H,19,20,21,23)