[5-(1-acetyloxy-2-oxidanylidene-ethyl)-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate

Systemtic Name: [5-(1-acetyloxy-2-oxidanylidene-ethyl)-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] ethanoate Openeye Name: [5-(1-acetoxy-2-oxo-ethyl)-2-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(1-acetyloxy-2-oxoethyl)-2-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: [5-(1-acetyloxy-2-oxoethyl)-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate Traditional Name: acetic acid [5-(1-acetoxy-2-keto-ethyl)-2-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] ester Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1N2C=NC3=C2NC=NC3=S)C(C=O)OC(=O)C

Isomeric SMILES

CC(=O)OC1CC(OC1N2C=NC3=C2NC=NC3=S)C(C=O)OC(=O)C

InChI

InChI=1S/C15H16N4O6S/c1-7(21)23-10-3-9(11(4-20)24-8(2)22)25-15(10)19-6-18-12-13(19)16-5-17-14(12)26/h4-6,9-11,15H,3H2,1-2H3,(H,16,17,26)