[2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ethanoate

Systemtic Name: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ethanoate Openeye Name: [2,3,4,5-tetraacetoxy-6-methylsulfanyl-6-(6-thioxo-3H-purin-9-yl)hexyl] acetate CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(methylthio)-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ester IUPAC Name: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate Traditional Name: acetic acid [2,3,4,5-tetraacetoxy-6-(methylthio)-6-(6-thioxo-3H-purin-9-yl)hexyl] ester Formula: C22H28N4O10S2 MolecularWeight: 572.60852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(N1C=NC2=C1NC=NC2=S)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C(C(C(C(N1C=NC2=C1NC=NC2=S)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H28N4O10S2/c1-10(27)32-7-15(33-11(2)28)17(34-12(3)29)18(35-13(4)30)19(36-14(5)31)22(38-6)26-9-25-16-20(26)23-8-24-21(16)37/h8-9,15,17-19,22H,7H2,1-6H3,(H,23,24,37)