ethyl 4-[(3-fluorophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-fluoroanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-fluoroanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-fluoroanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14FN3O2S MolecularWeight: 307.343263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN3O2S/c1-3-20-13(19)11-8-16-14(21-2)18-12(11)17-10-6-4-5-9(15)7-10/h4-8H,3H2,1-2H3,(H,16,17,18)