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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CCC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CCC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2OS/c1-16(2)10-13-21-22(19-8-6-5-7-9-19)25-24(26-23(21)27)28-15-20-14-17(3)11-12-18(20)4/h5-9,11-12,14,16,21-22,24-25H,10,13,15H2,1-4H3,(H,26,27)