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

Systemtic Name: (2R)-2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[6-acetamido-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionate Formula: C16H14FN4O5S- MolecularWeight: 393.369563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN4O5S/c1-7(15(25)26)27-16-20-12(18-8(2)22)11(14(24)21-16)19-13(23)9-3-5-10(17)6-4-9/h3-7H,1-2H3,(H,19,23)(H,25,26)(H2,18,20,21,22,24)/p-1/t7-/m1/s1