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

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-5-ethyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-5-ethyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-5-ethyl-6-phenyl-hexahydropyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1C(NC(NC1=O)SCC2=C(C=C(C=C2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-4-18-19(16-8-6-5-7-9-16)22-21(23-20(18)24)25-13-17-11-10-14(2)12-15(17)3/h5-12,18-19,21-22H,4,13H2,1-3H3,(H,23,24)