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

Systemtic Name: [2,3,4,5-tetraacetyloxy-6-(6-chloranylpurin-9-yl)-6-methylsulfanyl-hexyl] ethanoate Openeye Name: [2,3,4,5-tetraacetoxy-6-(6-chloropurin-9-yl)-6-methylsulfanyl-hexyl] acetate CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(6-chloro-9-purinyl)-6-(methylthio)hexyl] ester IUPAC Name: [2,3,4,5-tetraacetyloxy-6-(6-chloropurin-9-yl)-6-methylsulfanylhexyl] acetate Traditional Name: acetic acid [2,3,4,5-tetraacetoxy-6-(6-chloropurin-9-yl)-6-(methylthio)hexyl] ester Formula: C22H27ClN4O10S MolecularWeight: 574.98858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(N1C=NC2=C1N=CN=C2Cl)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC(C(C(C(C(N1C=NC2=C1N=CN=C2Cl)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H27ClN4O10S/c1-10(28)33-7-15(34-11(2)29)17(35-12(3)30)18(36-13(4)31)19(37-14(5)32)22(38-6)27-9-26-16-20(23)24-8-25-21(16)27/h8-9,15,17-19,22H,7H2,1-6H3