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

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(2,5-dimethylphenyl)methyl]-4-methyl-6-oxo-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(2,5-dimethylbenzyl)-4-keto-6-methyl-hexahydropyrimidin-2-yl]thio]propionic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(N1)SC(C)C(=O)O)CC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1C(C(=O)NC(N1)SC(C)C(=O)O)CC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C17H24N2O3S/c1-9-5-6-10(2)13(7-9)8-14-11(3)18-17(19-15(14)20)23-12(4)16(21)22/h5-7,11-12,14,17-18H,8H2,1-4H3,(H,19,20)(H,21,22)