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

Systemtic Name: 2-methyl-2-[(6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-methyl-2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 2-methyl-2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-methyl-2-[(6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(6-keto-4-phenyl-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-methyl-propionic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-14(2,12(18)19)20-13-15-10(8-11(17)16-13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,18,19)(H,15,16,17)