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

Systemtic Name: 2-[(5-ethyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(5-ethyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-ethyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c1-3-11-12(10-7-5-4-6-8-10)16-15(17-13(11)18)21-9(2)14(19)20/h4-9,11-12,15-16H,3H2,1-2H3,(H,17,18)(H,19,20)