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

Systemtic Name: ethyl 4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14ClFN4O3S MolecularWeight: 384.813063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC(=C(C=C2)F)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC(=O)NC2=CC(=C(C=C2)F)Cl)SC

InChI

InChI=1S/C15H14ClFN4O3S/c1-3-24-13(22)9-7-18-15(25-2)21-12(9)20-14(23)19-8-4-5-11(17)10(16)6-8/h4-7H,3H2,1-2H3,(H2,18,19,20,21,23)