2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-acetamido-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid Formula: C15H13FN4O5S MolecularWeight: 380.350923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)O)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)O)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FN4O5S/c1-7(21)17-12-11(14(25)20-15(19-12)26-6-10(22)23)18-13(24)8-2-4-9(16)5-3-8/h2-5H,6H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20,21,25)