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

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxidanylidene-1,3-diazinan-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[4-methyl-6-oxo-5-(p-tolylmethyl)hexahydropyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]thio]propanoic acid IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-keto-6-methyl-5-(4-methylbenzyl)hexahydropyrimidin-2-yl]thio]propionic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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