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

Systemtic Name: 2-methyl-3-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-5-yl]propanoic acid Openeye Name: 3-(2-benzylsulfanyl-4-methyl-6-oxo-hexahydropyrimidin-5-yl)-2-methyl-propanoic acid CAS Name: 2-methyl-3-[4-methyl-6-oxo-2-(phenylmethylthio)-1,3-diazinan-5-yl]propanoic acid IUPAC Name: 3-(2-benzylsulfanyl-4-methyl-6-oxo-1,3-diazinan-5-yl)-2-methylpropanoic acid Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-hexahydropyrimidin-5-yl]-2-methyl-propionic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-10(15(20)21)8-13-11(2)17-16(18-14(13)19)22-9-12-6-4-3-5-7-12/h3-7,10-11,13,16-17H,8-9H2,1-2H3,(H,18,19)(H,20,21)