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

Systemtic Name: 5-butyl-2-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-butyl-2-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-2-[(4-chlorophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-butyl-2-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-butyl-2-[(4-chlorobenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2OS/c1-2-3-9-18-19(16-7-5-4-6-8-16)23-21(24-20(18)25)26-14-15-10-12-17(22)13-11-15/h4-8,10-13,18-19,21,23H,2-3,9,14H2,1H3,(H,24,25)