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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3S/c1-3-4-6-11-14-15(13-9-7-5-8-10-13)19-18(20-16(14)21)24-12(2)17(22)23/h5,7-10,12,14-15,18-19H,3-4,6,11H2,1-2H3,(H,20,21)(H,22,23)