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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]butanoic acid IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]butanoic acid Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]butyric acid Formula: C14H14N2O3S MolecularWeight: 290.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)SC1=NC(=O)C=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O3S/c1-2-11(13(18)19)20-14-15-10(8-12(17)16-14)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H,18,19)(H,15,16,17)