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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-15(2)12-20-21(18-8-6-5-7-9-18)24-23(25-22(20)26)27-14-19-13-16(3)10-11-17(19)4/h5-11,13,15,20-21,23-24H,12,14H2,1-4H3,(H,25,26)