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

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

Isomeric SMILES

CCCCSC1NC(C(C(=O)N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

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