[3,4-diacetyloxy-5-(2-methylsulfanyl-6-piperidin-1-yl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-(2-methylsulfanyl-6-piperidin-1-yl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-[2-methylsulfanyl-6-(1-piperidyl)purin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-[2-(methylthio)-6-(1-piperidinyl)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-(2-methylsulfanyl-6-piperidin-1-ylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-[2-(methylthio)-6-piperidino-purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H29N5O7S MolecularWeight: 507.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N4CCCCC4)SC)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3N4CCCCC4)SC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H29N5O7S/c1-12(28)31-10-15-17(32-13(2)29)18(33-14(3)30)21(34-15)27-11-23-16-19(26-8-6-5-7-9-26)24-22(35-4)25-20(16)27/h11,15,17-18,21H,5-10H2,1-4H3