[3-(6-chloranylpurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ethanoate

Systemtic Name: [3-(6-chloranylpurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ethanoate Openeye Name: [3-(6-chloropurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] acetate CAS Name: acetic acid [3-[(6-chloro-9-purinyl)oxy]-2-(diethoxyphosphorylmethoxy)propyl] ester IUPAC Name: [3-(6-chloropurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] acetate Traditional Name: acetic acid [3-(6-chloropurin-9-yl)oxy-2-(diethoxyphosphorylmethoxy)propyl] ester Formula: C15H22ClN4O7P MolecularWeight: 436.784541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN4O7P/c1-4-26-28(22,27-5-2)10-24-12(6-23-11(3)21)7-25-20-9-19-13-14(16)17-8-18-15(13)20/h8-9,12H,4-7,10H2,1-3H3