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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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