2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoic acid Openeye Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetic acid CAS Name: 2-[2-[(2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid IUPAC Name: 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetic acid Traditional Name: 2-[2-[(2-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid Formula: C13H11FN2O3S MolecularWeight: 294.301443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)CC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C=C(N2)CC(=O)O)F

InChI

InChI=1S/C13H11FN2O3S/c14-10-4-2-1-3-8(10)7-20-13-15-9(6-12(18)19)5-11(17)16-13/h1-5H,6-7H2,(H,18,19)(H,15,16,17)