[(2S)-3-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxy-3-(5-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-3-[5-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]propyl] ester IUPAC Name: [(2S)-2-hydroxy-3-(5-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxy-3-[4-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]propyl] ester Formula: C16H20N2O5S2 MolecularWeight: 384.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2C=C(C(=O)N=C2SC)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CN2C=C(C(=O)N=C2SC)C)O

InChI

InChI=1S/C16H20N2O5S2/c1-11-4-6-14(7-5-11)25(21,22)23-10-13(19)9-18-8-12(2)15(20)17-16(18)24-3/h4-8,13,19H,9-10H2,1-3H3/t13-/m0/s1