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

Systemtic Name: [2,3,4,5-tetraacetyloxy-6-ethylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ethanoate Openeye Name: [2,3,4,5-tetraacetoxy-6-ethylsulfanyl-6-(6-thioxo-3H-purin-9-yl)hexyl] acetate CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(ethylthio)-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] ester IUPAC Name: [2,3,4,5-tetraacetyloxy-6-ethylsulfanyl-6-(6-sulfanylidene-3H-purin-9-yl)hexyl] acetate Traditional Name: acetic acid [2,3,4,5-tetraacetoxy-6-(ethylthio)-6-(6-thioxo-3H-purin-9-yl)hexyl] ester Formula: C23H30N4O10S2 MolecularWeight: 586.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S

Isomeric SMILES

CCSC(C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C23H30N4O10S2/c1-7-39-23(27-10-26-17-21(27)24-9-25-22(17)38)20(37-15(6)32)19(36-14(5)31)18(35-13(4)30)16(34-12(3)29)8-33-11(2)28/h9-10,16,18-20,23H,7-8H2,1-6H3,(H,24,25,38)