4-[(2-fluorophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(2-fluorophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(2-fluoroanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-fluoroanilino)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(2-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2-fluoroanilino)-2-(methylthio)pyrimidine-5-carboxylate Formula: C12H9FN3O2S- MolecularWeight: 278.282163

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=CC=C2F)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=CC=C2F)C(=O)[O-]

InChI

InChI=1S/C12H10FN3O2S/c1-19-12-14-6-7(11(17)18)10(16-12)15-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18)(H,14,15,16)/p-1