4-[4-[(2S)-2-oxidanyl-3-pyrimidin-2-ylsulfanyl-propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[(2S)-2-oxidanyl-3-pyrimidin-2-ylsulfanyl-propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[(2S)-2-hydroxy-3-pyrimidin-2-ylsulfanyl-propoxy]phenyl]butan-2-one CAS Name: 4-[4-[(2S)-2-hydroxy-3-(2-pyrimidinylthio)propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[(2S)-2-hydroxy-3-pyrimidin-2-ylsulfanylpropoxy]phenyl]butan-2-one Traditional Name: 4-[4-[(2S)-2-hydroxy-3-(2-pyrimidylthio)propoxy]phenyl]butan-2-one Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC(CSC2=NC=CC=N2)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC[C@@H](CSC2=NC=CC=N2)O

InChI

InChI=1S/C17H20N2O3S/c1-13(20)3-4-14-5-7-16(8-6-14)22-11-15(21)12-23-17-18-9-2-10-19-17/h2,5-10,15,21H,3-4,11-12H2,1H3/t15-/m0/s1