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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(NC(NC1=O)SCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2OS/c1-14(2)12-18-19(16-6-4-3-5-7-16)23-21(24-20(18)25)26-13-15-8-10-17(22)11-9-15/h3-11,14,18-19,21,23H,12-13H2,1-2H3,(H,24,25)