5-butyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-butyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-butyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-butyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-butyl-6-phenyl-hexahydropyrimidin-4-one Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2OS/c1-3-5-11-14-15(13-9-7-6-8-10-13)18-17(19-16(14)20)21-12-4-2/h4,6-10,14-15,17-18H,2-3,5,11-12H2,1H3,(H,19,20)