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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1(N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC(=O)C)C#C

Isomeric SMILES

CC(=O)OC1CC(OC1(N2C=NC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)F)OC(=O)C)C#C

InChI

InChI=1S/C21H17ClFN5O5/c1-4-14-8-17(31-11(2)29)21(33-14,32-12(3)30)28-10-26-18-19(24-9-25-20(18)28)27-16-6-5-13(22)7-15(16)23/h1,5-7,9-10,14,17H,8H2,2-3H3,(H,24,25,27)