2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]hexanoic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]hexanoic acid Openeye Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]hexanoic acid CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid IUPAC Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid Traditional Name: 2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]hexanoic acid Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C)C(=O)O

Isomeric SMILES

CCCCC(C1C(NC(NC1=O)SCC2=C(C=CC(=C2)C)C)C)C(=O)O

InChI

InChI=1S/C20H30N2O3S/c1-5-6-7-16(19(24)25)17-14(4)21-20(22-18(17)23)26-11-15-10-12(2)8-9-13(15)3/h8-10,14,16-17,20-21H,5-7,11H2,1-4H3,(H,22,23)(H,24,25)