[3,4-diacetyloxy-5-(6-chloranyl-2-cyclohexylsulfanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(6-chloranyl-2-cyclohexylsulfanyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-(6-chloro-2-cyclohexylsulfanyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[6-chloro-2-(cyclohexylthio)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(6-chloro-2-cyclohexylsulfanylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[6-chloro-2-(cyclohexylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H27ClN4O7S MolecularWeight: 526.99038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)SC4CCCCC4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)SC4CCCCC4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H27ClN4O7S/c1-11(28)31-9-15-17(32-12(2)29)18(33-13(3)30)21(34-15)27-10-24-16-19(23)25-22(26-20(16)27)35-14-7-5-4-6-8-14/h10,14-15,17-18,21H,4-9H2,1-3H3