2-[(5-ethyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid

Systemtic Name: 2-[(5-ethyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(5-ethyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-ethyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-3-5-11-14(17(22)23)24-18-19-15(12-9-7-6-8-10-12)13(4-2)16(21)20-18/h6-10,13-15,18-19H,3-5,11H2,1-2H3,(H,20,21)(H,22,23)