5-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-hydroxy-5-[(1S)-1-methylpropyl]-1H-pyrimidin-6-one CAS Name: 5-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methylthio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[(4-chlorobenzyl)thio]-4-hydroxy-5-[(1S)-1-methylpropyl]-1H-pyrimidin-6-one Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N=C(NC1=O)SCC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC[C@H](C)C1=C(N=C(NC1=O)SCC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H17ClN2O2S/c1-3-9(2)12-13(19)17-15(18-14(12)20)21-8-10-4-6-11(16)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20)/t9-/m0/s1