5-butyl-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-butyl-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-butyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-butyl-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one Formula: C9H14N2O2S MolecularWeight: 214.28466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)SC)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)SC)O

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-6-7(12)10-9(14-2)11-8(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)