2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1,3-diazinan-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1,3-diazinan-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-isopentyl-6-methyl-hexahydropyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-6-methyl-5-(3-methylbutyl)-1,3-diazinan-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-5-(3-methylbutyl)-1,3-diazinan-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-5-isoamyl-6-methyl-hexahydropyrimidin-4-one Formula: C17H25ClN2OS MolecularWeight: 340.9112

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=CC=CC=C2Cl)CCC(C)C

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=CC=CC=C2Cl)CCC(C)C

InChI

InChI=1S/C17H25ClN2OS/c1-11(2)8-9-14-12(3)19-17(20-16(14)21)22-10-13-6-4-5-7-15(13)18/h4-7,11-12,14,17,19H,8-10H2,1-3H3,(H,20,21)