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

Systemtic Name: 5-[(2S)-butan-2-yl]-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-4-hydroxy-5-[(1S)-1-methylpropyl]-1H-pyrimidin-6-one CAS Name: 5-[(2S)-butan-2-yl]-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-[(2S)-butan-2-yl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-4-hydroxy-5-[(1S)-1-methylpropyl]-1H-pyrimidin-6-one Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-3-10(2)12-13(18)16-15(17-14(12)19)20-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,16,17,18,19)/t10-/m0/s1