[3-acetyloxy-5-(6-azanyl-2-fluoranyl-purin-9-yl)-2-ethynyl-oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-(6-azanyl-2-fluoranyl-purin-9-yl)-2-ethynyl-oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-(6-amino-2-fluoro-purin-9-yl)-2-ethynyl-tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-(6-amino-2-fluoro-9-purinyl)-2-ethynyl-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-(6-amino-2-fluoro-purin-9-yl)-2-ethynyl-tetrahydrofuran-2-yl]methyl ester Formula: C16H16FN5O5 MolecularWeight: 377.327143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=C(N=C3N)F)OC(=O)C)C#C

Isomeric SMILES

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=C(N=C3N)F)OC(=O)C)C#C

InChI

InChI=1S/C16H16FN5O5/c1-4-16(6-25-8(2)23)10(26-9(3)24)5-11(27-16)22-7-19-12-13(18)20-15(17)21-14(12)22/h1,7,10-11H,5-6H2,2-3H3,(H2,18,20,21)