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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-5-(2-pentylsulfanylethyl)-1,3-diazinan-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-5-(2-pentylsulfanylethyl)hexahydropyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-methyl-5-[2-(pentylthio)ethyl]-1,3-diazinan-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-5-(2-pentylsulfanylethyl)-1,3-diazinan-4-one Traditional Name: 5-[2-(amylthio)ethyl]-2-[(2,5-dimethylbenzyl)thio]-6-methyl-hexahydropyrimidin-4-one Formula: C21H34N2OS2 MolecularWeight: 394.63746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C

Isomeric SMILES

CCCCCSCCC1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C

InChI

InChI=1S/C21H34N2OS2/c1-5-6-7-11-25-12-10-19-17(4)22-21(23-20(19)24)26-14-18-13-15(2)8-9-16(18)3/h8-9,13,17,19,21-22H,5-7,10-12,14H2,1-4H3,(H,23,24)