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

Systemtic Name: 2-[(5-butyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(5-butyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(5-butyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 2-[(5-butyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-butyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1C(NC(NC1=O)SC(C)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-3-4-10-13-14(12-8-6-5-7-9-12)18-17(19-15(13)20)23-11(2)16(21)22/h5-9,11,13-14,17-18H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)