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

Systemtic Name: 3-[(5-hexyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 3-(5-hexyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(5-hexyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-hexyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-hexyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-2-3-4-8-11-15-17(14-9-6-5-7-10-14)20-19(21-18(15)24)25-13-12-16(22)23/h5-7,9-10,15,17,19-20H,2-4,8,11-13H2,1H3,(H,21,24)(H,22,23)