[4-acetyloxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-ethynyl-oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-ethynyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-[6-(1-benzotriazolyloxy)-9-purinyl]-2-ethynyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-ethynyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-[6-(benzotriazol-1-yloxy)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] ester Formula: C21H17N7O6 MolecularWeight: 463.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3ON4C5=CC=CC=C5N=N4)C#C

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3ON4C5=CC=CC=C5N=N4)C#C

InChI

InChI=1S/C21H17N7O6/c1-4-15-17(31-11(2)29)18(32-12(3)30)21(33-15)27-10-24-16-19(27)22-9-23-20(16)34-28-14-8-6-5-7-13(14)25-26-28/h1,5-10,15,17-18,21H,2-3H3