2-[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-bromo-2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[5-bromo-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid Formula: C13H10BrFN2O3S MolecularWeight: 373.197503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2CC(=O)O)Br)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C(=CN2CC(=O)O)Br)F

InChI

InChI=1S/C13H10BrFN2O3S/c14-10-5-17(6-11(18)19)13(16-12(10)20)21-7-8-1-3-9(15)4-2-8/h1-5H,6-7H2,(H,18,19)