[4-acetyloxy-5-[6-[(4-chloranyl-2-fluoranyl-phenyl)amino]purin-9-yl]-2-ethynyl-oxolan-3-yl] ethanoate

Systemtic Name: [4-acetyloxy-5-[6-[(4-chloranyl-2-fluoranyl-phenyl)amino]purin-9-yl]-2-ethynyl-oxolan-3-yl] ethanoate Openeye Name: [4-acetoxy-5-[6-(4-chloro-2-fluoro-anilino)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [4-acetyloxy-5-[6-(4-chloro-2-fluoroanilino)-9-purinyl]-2-ethynyl-3-oxolanyl] ester IUPAC Name: [4-acetyloxy-5-[6-(4-chloro-2-fluoroanilino)purin-9-yl]-2-ethynyloxolan-3-yl] acetate Traditional Name: acetic acid [4-acetoxy-5-[6-(4-chloro-2-fluoro-anilino)purin-9-yl]-2-ethynyl-tetrahydrofuran-3-yl] ester Formula: C21H17ClFN5O5 MolecularWeight: 473.841583

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F)C#C

Isomeric SMILES

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F)C#C

InChI

InChI=1S/C21H17ClFN5O5/c1-4-15-17(31-10(2)29)18(32-11(3)30)21(33-15)28-9-26-16-19(24-8-25-20(16)28)27-14-6-5-12(22)7-13(14)23/h1,5-9,15,17-18,21H,2-3H3,(H,24,25,27)