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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-3-4-5-9-12-15-16(14-10-7-6-8-11-14)20-19(21-17(15)22)25-13(2)18(23)24/h6-8,10-11,13,15-16,19-20H,3-5,9,12H2,1-2H3,(H,21,22)(H,23,24)