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

Systemtic Name: 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-[(2,5-dimethylphenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-2-methylpropanoic acid Traditional Name: 3-[2-[(2,5-dimethylbenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]-2-methyl-propionic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-10-5-6-11(2)14(7-10)9-24-18-19-13(4)15(16(21)20-18)8-12(3)17(22)23/h5-7,12-13,15,18-19H,8-9H2,1-4H3,(H,20,21)(H,22,23)