5-[(2-methylsulfanylphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(2-methylsulfanylphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-[(2-methylsulfanylphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[[2-(methylthio)phenyl]methyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-[(2-methylsulfanylphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-[2-(methylthio)benzyl]-1H-pyrimidin-6-one Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CC2=C(N=CNC2=O)O

Isomeric SMILES

CSC1=CC=CC=C1CC2=C(N=CNC2=O)O

InChI

InChI=1S/C12H12N2O2S/c1-17-10-5-3-2-4-8(10)6-9-11(15)13-7-14-12(9)16/h2-5,7H,6H2,1H3,(H2,13,14,15,16)