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

Systemtic Name: [2,3,4,5-tetraacetyloxy-6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexyl] ethanoate Openeye Name: [2,3,4,5-tetraacetoxy-6-(6-chloropurin-9-yl)-6-ethylsulfanyl-hexyl] acetate CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(6-chloro-9-purinyl)-6-(ethylthio)hexyl] ester IUPAC Name: [2,3,4,5-tetraacetyloxy-6-(6-chloropurin-9-yl)-6-ethylsulfanylhexyl] acetate Traditional Name: acetic acid [2,3,4,5-tetraacetoxy-6-(6-chloropurin-9-yl)-6-(ethylthio)hexyl] ester Formula: C23H29ClN4O10S MolecularWeight: 589.01516

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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=C1N=CN=C2Cl

Isomeric SMILES

CCSC(C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1N=CN=C2Cl

InChI

InChI=1S/C23H29ClN4O10S/c1-7-39-23(28-10-27-17-21(24)25-9-26-22(17)28)20(38-15(6)33)19(37-14(5)32)18(36-13(4)31)16(35-12(3)30)8-34-11(2)29/h9-10,16,18-20,23H,7-8H2,1-6H3