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

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-5-yl]propanoic acid Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-hexahydropyrimidin-5-yl)propanoic acid CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-1,3-diazinan-5-yl)propanoic acid Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-hexahydropyrimidin-5-yl]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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