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

Systemtic Name: ethyl 4-[(3-fluoranyl-4-methyl-phenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(3-fluoro-4-methyl-phenyl)carbamoylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(3-fluoro-4-methylanilino)-oxomethyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-fluoro-4-methyl-phenyl)carbamoylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17FN4O3S MolecularWeight: 364.394583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O3S/c1-4-24-14(22)11-8-18-16(25-3)21-13(11)20-15(23)19-10-6-5-9(2)12(17)7-10/h5-8H,4H2,1-3H3,(H2,18,19,20,21,23)