[3,4,5-triacetyloxy-6-(6-propylsulfanylpurin-9-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(6-propylsulfanylpurin-9-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(6-propylsulfanylpurin-9-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[6-(propylthio)-9-purinyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(6-propylsulfanylpurin-9-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[6-(propylthio)purin-9-yl]tetrahydropyran-2-yl]methyl ester Formula: C22H28N4O9S MolecularWeight: 524.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=NC2=C1N=CN2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCSC1=NC=NC2=C1N=CN2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H28N4O9S/c1-6-7-36-21-16-20(23-9-24-21)26(10-25-16)22-19(34-14(5)30)18(33-13(4)29)17(32-12(3)28)15(35-22)8-31-11(2)27/h9-10,15,17-19,22H,6-8H2,1-5H3