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

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[4-methyl-6-oxo-5-(p-tolylmethyl)hexahydropyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-keto-6-methyl-5-(4-methylbenzyl)hexahydropyrimidin-2-yl]thio]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3S/c1-9-3-5-11(6-4-9)7-12-10(2)16-15(17-14(12)20)21-8-13(18)19/h3-6,10,12,15-16H,7-8H2,1-2H3,(H,17,20)(H,18,19)