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

Systemtic Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]ethanoic acid Openeye Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]acetic acid CAS Name: 2-[2-[(2,4-dimethylphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]acetic acid IUPAC Name: 2-[2-[(2,4-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]acetic acid Traditional Name: 2-[2-[(2,4-dimethylbenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]acetic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SCC2=C(C=C(C=C2)C)C)CC(=O)O

Isomeric SMILES

CC1C(C(=O)NC(N1)SCC2=C(C=C(C=C2)C)C)CC(=O)O

InChI

InChI=1S/C16H22N2O3S/c1-9-4-5-12(10(2)6-9)8-22-16-17-11(3)13(7-14(19)20)15(21)18-16/h4-6,11,13,16-17H,7-8H2,1-3H3,(H,18,21)(H,19,20)