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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-[(4-chlorobenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2OS/c1-2-3-5-10-19-20(17-8-6-4-7-9-17)24-22(25-21(19)26)27-15-16-11-13-18(23)14-12-16/h4,6-9,11-14,19-20,22,24H,2-3,5,10,15H2,1H3,(H,25,26)