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

Systemtic Name: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-methylsulfanylpurin-9-yl)hexyl] ethanoate Openeye Name: [2,3,4,5-tetraacetoxy-6-methylsulfanyl-6-(6-methylsulfanylpurin-9-yl)hexyl] acetate CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6-(methylthio)-6-[6-(methylthio)-9-purinyl]hexyl] ester IUPAC Name: [2,3,4,5-tetraacetyloxy-6-methylsulfanyl-6-(6-methylsulfanylpurin-9-yl)hexyl] acetate Traditional Name: acetic acid [2,3,4,5-tetraacetoxy-6-(methylthio)-6-[6-(methylthio)purin-9-yl]hexyl] ester Formula: C23H30N4O10S2 MolecularWeight: 586.6351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C(N1C=NC2=C1N=CN=C2SC)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=C2SC)SC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

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