[(2R,3S,5R)-3-acetyloxy-5-(6-ethylsulfanylpurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(6-ethylsulfanylpurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(6-ethylsulfanylpurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-[6-(ethylthio)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(6-ethylsulfanylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-[6-(ethylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=NC2=C1N=CN2C3CC(C(O3)COC(=O)C)OC(=O)C

Isomeric SMILES

CCSC1=NC=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C

InChI

InChI=1S/C16H20N4O5S/c1-4-26-16-14-15(17-7-18-16)20(8-19-14)13-5-11(24-10(3)22)12(25-13)6-23-9(2)21/h7-8,11-13H,4-6H2,1-3H3/t11-,12+,13+/m0/s1