[6-chloranyl-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamido-purin-3-yl] ethanoate

Systemtic Name: [6-chloranyl-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamido-purin-3-yl] ethanoate Openeye Name: [6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamido-purin-3-yl] acetate CAS Name: acetic acid [6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamido-3-purinyl] ester IUPAC Name: [6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamidopurin-3-yl] acetate Traditional Name: acetic acid [6-chloro-8-[2-(diethoxyphosphorylmethoxy)propoxy]-2-formamido-purin-3-yl] ester Formula: C16H23ClN5O8P MolecularWeight: 479.809281

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(C)COC1=NC2=C(N=C(N(C2=N1)OC(=O)C)NC=O)Cl)OCC

Isomeric SMILES

CCOP(=O)(COC(C)COC1=NC2=C(N=C(N(C2=N1)OC(=O)C)NC=O)Cl)OCC

InChI

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