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

Systemtic Name: [4-acetyloxy-5-[6-(cyclobutylamino)purin-9-yl]-2-ethynyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-[6-(cyclobutylamino)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-[6-(cyclobutylamino)-9-purinyl]-2-ethynyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-[6-(cyclobutylamino)purin-9-yl]-2-ethynyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-[6-(cyclobutylamino)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3NC4CCC4)C#C

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3NC4CCC4)C#C

InChI

InChI=1S/C19H21N5O5/c1-4-13-15(27-10(2)25)16(28-11(3)26)19(29-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-5-7-12/h1,8-9,12-13,15-16,19H,5-7H2,2-3H3,(H,20,21,23)