5-(3-methylbutyl)-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one

Systemtic Name: 5-(3-methylbutyl)-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Openeye Name: 2-allylsulfanyl-5-isopentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-phenyl-2-(prop-2-enylthio)-1,3-diazinan-4-one IUPAC Name: 5-(3-methylbutyl)-6-phenyl-2-prop-2-enylsulfanyl-1,3-diazinan-4-one Traditional Name: 2-(allylthio)-5-isoamyl-6-phenyl-hexahydropyrimidin-4-one Formula: C18H26N2OS MolecularWeight: 318.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1C(NC(NC1=O)SCC=C)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2OS/c1-4-12-22-18-19-16(14-8-6-5-7-9-14)15(17(21)20-18)11-10-13(2)3/h4-9,13,15-16,18-19H,1,10-12H2,2-3H3,(H,20,21)