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

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

Isomeric SMILES

CC(C)CC1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

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