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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-hexyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-hexyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-hexyl-6-phenyl-hexahydropyrimidin-4-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2OS/c1-4-5-6-10-13-22-23(20-11-8-7-9-12-20)26-25(27-24(22)28)29-17-21-16-18(2)14-15-19(21)3/h7-9,11-12,14-16,22-23,25-26H,4-6,10,13,17H2,1-3H3,(H,27,28)