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

Systemtic Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxidanylidene-1,3-diazinan-5-yl]hexanoic acid Openeye Name: 2-[4-methyl-2-(1-naphthylmethylsulfanyl)-6-oxo-hexahydropyrimidin-5-yl]hexanoic acid CAS Name: 2-[4-methyl-2-(1-naphthalenylmethylthio)-6-oxo-1,3-diazinan-5-yl]hexanoic acid IUPAC Name: 2-[4-methyl-2-(naphthalen-1-ylmethylsulfanyl)-6-oxo-1,3-diazinan-5-yl]hexanoic acid Traditional Name: 2-[4-keto-6-methyl-2-(1-naphthylmethylthio)hexahydropyrimidin-5-yl]hexanoic acid Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CCCCC(C1C(NC(NC1=O)SCC2=CC=CC3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C22H28N2O3S/c1-3-4-11-18(21(26)27)19-14(2)23-22(24-20(19)25)28-13-16-10-7-9-15-8-5-6-12-17(15)16/h5-10,12,14,18-19,22-23H,3-4,11,13H2,1-2H3,(H,24,25)(H,26,27)