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

Systemtic Name: 5-hexyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-hexyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-hexyl-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-hexyl-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-hexyl-6-phenyl-hexahydropyrimidin-4-one Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2OS/c1-3-5-6-10-13-16-17(15-11-8-7-9-12-15)20-19(21-18(16)22)23-14-4-2/h4,7-9,11-12,16-17,19-20H,2-3,5-6,10,13-14H2,1H3,(H,21,22)