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

Systemtic Name: 3-[(5-methyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Openeye Name: 3-(5-methyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-5-methyl-6-phenyl-hexahydropyrimidin-2-yl)thio]propionic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1C(NC(NC1=O)SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3S/c1-9-12(10-5-3-2-4-6-10)15-14(16-13(9)19)20-8-7-11(17)18/h2-6,9,12,14-15H,7-8H2,1H3,(H,16,19)(H,17,18)