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

Systemtic Name: 2-butylsulfanyl-5-[(4-chlorophenyl)methyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-butylsulfanyl-5-[(4-chlorophenyl)methyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(butylthio)-5-[(4-chlorophenyl)methyl]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-butylsulfanyl-5-[(4-chlorophenyl)methyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(butylthio)-5-(4-chlorobenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1NC(C(C(=O)N1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

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