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

Systemtic Name: [2,3,4-triacetyloxy-6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexyl] ethanoate Openeye Name: [2,3,4-triacetoxy-6-(6-chloropurin-9-yl)-6-ethylsulfanyl-hexyl] acetate CAS Name: acetic acid [2,3,4-triacetyloxy-6-(6-chloro-9-purinyl)-6-(ethylthio)hexyl] ester IUPAC Name: [2,3,4-triacetyloxy-6-(6-chloropurin-9-yl)-6-ethylsulfanylhexyl] acetate Traditional Name: acetic acid [2,3,4-triacetoxy-6-(6-chloropurin-9-yl)-6-(ethylthio)hexyl] ester Formula: C42H54Cl2N8O16S2 MolecularWeight: 1061.95816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H27ClN4O8S/c2*1-6-35-17(26-10-25-18-20(22)23-9-24-21(18)26)7-15(32-12(3)28)19(34-14(5)30)16(33-13(4)29)8-31-11(2)27/h2*9-10,15-17,19H,6-8H2,1-5H3