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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-[(2,5-dimethylbenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2OS/c1-4-5-7-12-21-22(19-10-8-6-9-11-19)25-24(26-23(21)27)28-16-20-15-17(2)13-14-18(20)3/h6,8-11,13-15,21-22,24-25H,4-5,7,12,16H2,1-3H3,(H,26,27)