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

Systemtic Name: 5-butyl-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-butyl-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-2-[(2-chlorophenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-butyl-2-[(2-chlorophenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-butyl-2-[(2-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=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

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