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

Systemtic Name: 5-butyl-2-methylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-butyl-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-butyl-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-butyl-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-butyl-2-(methylthio)-1H-pyrimidin-6-one Formula: C9H14N2OS MolecularWeight: 198.28526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(NC1=O)SC

Isomeric SMILES

CCCCC1=CN=C(NC1=O)SC

InChI

InChI=1S/C9H14N2OS/c1-3-4-5-7-6-10-9(13-2)11-8(7)12/h6H,3-5H2,1-2H3,(H,10,11,12)