2-[3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]ethyl ethanoate

Systemtic Name: 2-[3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]ethyl ethanoate Openeye Name: 2-[3,4-diacetoxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]ethyl acetate CAS Name: acetic acid 2-[3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]ethyl ester IUPAC Name: 2-[3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]ethyl acetate Traditional Name: acetic acid 2-[3,4-diacetoxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]ethyl ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H20N4O7S/c1-8(22)25-5-4-11-13(26-9(2)23)14(27-10(3)24)17(28-11)21-7-20-12-15(21)18-6-19-16(12)29/h6-7,11,13-14,17H,4-5H2,1-3H3,(H,18,19,29)