2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C(=O)O)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C14H11N3O3S/c1-8(13(19)20)21-14-16-11(9-5-3-2-4-6-9)10(7-15)12(18)17-14/h2-6,8H,1H3,(H,19,20)(H,16,17,18)