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

Systemtic Name: S-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-8-pyrrolidin-1-yl-3H-purin-9-yl)oxolan-2-yl]methyl] ethanethioate Openeye Name: S-[[3,4-dihydroxy-5-(6-oxo-8-pyrrolidin-1-yl-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3,4-dihydroxy-5-[6-oxo-8-(1-pyrrolidinyl)-3H-purin-9-yl]-2-oxolanyl]methyl] ester IUPAC Name: S-[[3,4-dihydroxy-5-(6-oxo-8-pyrrolidin-1-yl-3H-purin-9-yl)oxolan-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[3,4-dihydroxy-5-(6-keto-8-pyrrolidino-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] ester Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2N4CCCC4)O)O

Isomeric SMILES

CC(=O)SCC1C(C(C(O1)N2C3=C(C(=O)N=CN3)N=C2N4CCCC4)O)O

InChI

InChI=1S/C16H21N5O5S/c1-8(22)27-6-9-11(23)12(24)15(26-9)21-13-10(14(25)18-7-17-13)19-16(21)20-4-2-3-5-20/h7,9,11-12,15,23-24H,2-6H2,1H3,(H,17,18,25)