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

Systemtic Name: 5-[(2,4-dimethylphenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(2,4-dimethylphenyl)methyl]-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(2,4-dimethylphenyl)methyl]-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(2,4-dimethylphenyl)methyl]-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(amylthio)-5-(2,4-dimethylbenzyl)-6-phenyl-hexahydropyrimidin-4-one Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)CC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)CC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

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