[3-acetyloxy-2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl] ethanoate Openeye Name: [3-acetoxy-2-[2-acetoxy-1-(6-aminopurin-9-yl)ethoxy]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl] ester IUPAC Name: [3-acetyloxy-2-[2-acetyloxy-1-(6-aminopurin-9-yl)ethoxy]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-(2-acetoxy-1-adenin-9-yl-ethoxy)propyl] ester Formula: C16H21N5O7 MolecularWeight: 395.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)OC(COC(=O)C)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CC(=O)OCC(COC(=O)C)OC(COC(=O)C)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C16H21N5O7/c1-9(22)25-4-12(5-26-10(2)23)28-13(6-27-11(3)24)21-8-20-14-15(17)18-7-19-16(14)21/h7-8,12-13H,4-6H2,1-3H3,(H2,17,18,19)