3-butyl-2-methylsulfanyl-6-oxidanyl-1,3-diazinan-4-one

Systemtic Name: 3-butyl-2-methylsulfanyl-6-oxidanyl-1,3-diazinan-4-one Openeye Name: 3-butyl-6-hydroxy-2-methylsulfanyl-hexahydropyrimidin-4-one CAS Name: 3-butyl-6-hydroxy-2-(methylthio)-1,3-diazinan-4-one IUPAC Name: 3-butyl-6-hydroxy-2-methylsulfanyl-1,3-diazinan-4-one Traditional Name: 3-butyl-6-hydroxy-2-(methylthio)hexahydropyrimidin-4-one Formula: C9H18N2O2S MolecularWeight: 218.31642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(NC(CC1=O)O)SC

Isomeric SMILES

CCCCN1C(NC(CC1=O)O)SC

InChI

InChI=1S/C9H18N2O2S/c1-3-4-5-11-8(13)6-7(12)10-9(11)14-2/h7,9-10,12H,3-6H2,1-2H3