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

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)-1,3-diazinan-5-yl]hexanoic acid Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-hexahydropyrimidin-5-yl)hexanoic acid CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1,3-diazinan-5-yl]hexanoic acid IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-1,3-diazinan-5-yl)hexanoic acid Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-hexahydropyrimidin-5-yl]hexanoic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C18H26N2O3S/c1-3-4-10-14(17(22)23)15-12(2)19-18(20-16(15)21)24-11-13-8-6-5-7-9-13/h5-9,12,14-15,18-19H,3-4,10-11H2,1-2H3,(H,20,21)(H,22,23)