3-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid

Systemtic Name: 3-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid Openeye Name: 3-(4-oxo-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)propanoic acid CAS Name: 3-(4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid IUPAC Name: 3-(4-oxo-6-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)propanoic acid Traditional Name: 3-(4-keto-6-phenyl-2-thioxo-hexahydropyrimidin-5-yl)propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)NC(=S)N2)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)NC(=S)N2)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c16-10(17)7-6-9-11(8-4-2-1-3-5-8)14-13(19)15-12(9)18/h1-5,9,11H,6-7H2,(H,16,17)(H2,14,15,18,19)