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

Systemtic Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-1,3-diazinan-5-yl]hexanoic acid Openeye Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-hexahydropyrimidin-5-yl]hexanoic acid CAS Name: 2-[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid IUPAC Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]hexanoic acid Traditional Name: 2-[2-[(2-chlorobenzyl)thio]-4-keto-6-methyl-hexahydropyrimidin-5-yl]hexanoic acid Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C)C(=O)O

Isomeric SMILES

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC=C2Cl)C)C(=O)O

InChI

InChI=1S/C18H25ClN2O3S/c1-3-4-8-13(17(23)24)15-11(2)20-18(21-16(15)22)25-10-12-7-5-6-9-14(12)19/h5-7,9,11,13,15,18,20H,3-4,8,10H2,1-2H3,(H,21,22)(H,23,24)