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

Systemtic Name: [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(6-thioxo-3H-purin-9-yl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-(6-sulfanylidene-3H-purin-9-yl)oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(6-thioxo-3H-purin-9-yl)tetrahydropyran-3-yl] ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC=NC3=S

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C16H18N4O7S/c1-7(21)25-10-4-24-16(13(27-9(3)23)12(10)26-8(2)22)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)