[3-acetyloxy-2-[2-acetyloxy-1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[2-acetyloxy-1-(6-oxidanylidene-3H-purin-9-yl)ethoxy]propyl] ethanoate Openeye Name: [3-acetoxy-2-[2-acetoxy-1-(6-oxo-3H-purin-9-yl)ethoxy]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[2-acetyloxy-1-(6-oxo-3H-purin-9-yl)ethoxy]propyl] ester IUPAC Name: [3-acetyloxy-2-[2-acetyloxy-1-(6-oxo-3H-purin-9-yl)ethoxy]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[2-acetoxy-1-(6-keto-3H-purin-9-yl)ethoxy]propyl] ester Formula: C16H20N4O8 MolecularWeight: 396.352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)OC(COC(=O)C)N1C=NC2=C1NC=NC2=O

Isomeric SMILES

CC(=O)OCC(COC(=O)C)OC(COC(=O)C)N1C=NC2=C1NC=NC2=O

InChI

InChI=1S/C16H20N4O8/c1-9(21)25-4-12(5-26-10(2)22)28-13(6-27-11(3)23)20-8-19-14-15(20)17-7-18-16(14)24/h7-8,12-13H,4-6H2,1-3H3,(H,17,18,24)