S-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-8-piperidin-1-yl-3H-purin-9-yl)oxolan-2-yl]methyl] ethanethioate

Systemtic Name: S-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-8-piperidin-1-yl-3H-purin-9-yl)oxolan-2-yl]methyl] ethanethioate Openeye Name: S-[[3,4-dihydroxy-5-[6-oxo-8-(1-piperidyl)-3H-purin-9-yl]tetrahydrofuran-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3,4-dihydroxy-5-[6-oxo-8-(1-piperidinyl)-3H-purin-9-yl]-2-oxolanyl]methyl] ester IUPAC Name: S-[[3,4-dihydroxy-5-(6-oxo-8-piperidin-1-yl-3H-purin-9-yl)oxolan-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[3,4-dihydroxy-5-(6-keto-8-piperidino-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] ester Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2N4CCCCC4)O)O

Isomeric SMILES

CC(=O)SCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2N4CCCCC4)O)O

InChI

InChI=1S/C17H23N5O5S/c1-9(23)28-7-10-12(24)13(25)16(27-10)22-14-11(15(26)19-8-18-14)20-17(22)21-5-3-2-4-6-21/h8,10,12-13,16,24-25H,2-7H2,1H3,(H,18,19,26)