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

Systemtic Name: 5-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-butyl-2-[(2,5-dimethylphenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-butyl-2-[(2,5-dimethylbenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2OS/c1-4-5-11-20-21(18-9-7-6-8-10-18)24-23(25-22(20)26)27-15-19-14-16(2)12-13-17(19)3/h6-10,12-14,20-21,23-24H,4-5,11,15H2,1-3H3,(H,25,26)