ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-chloro-4-fluoro-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-chloro-4-fluoroanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-4-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-anilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H13ClFN3O2S MolecularWeight: 341.788323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=C(C=C2)F)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=C(C=C2)F)Cl)SC

InChI

InChI=1S/C14H13ClFN3O2S/c1-3-21-13(20)9-7-17-14(22-2)19-12(9)18-8-4-5-11(16)10(15)6-8/h4-7H,3H2,1-2H3,(H,17,18,19)