5-ethyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one

Systemtic Name: 5-ethyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one Openeye Name: 2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-ethyl-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one IUPAC Name: 2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(benzylthio)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O

InChI

InChI=1S/C13H14N2O2S/c1-2-10-11(16)14-13(15-12(10)17)18-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,15,16,17)