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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-5-[(2,5-dimethylphenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-5-(2,5-dimethylbenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2C(NC(NC2=O)SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2OS/c1-17-12-13-18(2)21(14-17)15-22-24(19-8-4-3-5-9-19)28-26(29-25(22)30)31-16-20-10-6-7-11-23(20)27/h3-14,22,24,26,28H,15-16H2,1-2H3,(H,29,30)