ethyl 2-methylsulfanyl-4-[[4-(phenylcarbonyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(phenylcarbonyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzoylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-benzoylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-benzoylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C21H19N3O3S/c1-3-27-20(26)17-13-22-21(28-2)24-19(17)23-16-11-9-15(10-12-16)18(25)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,22,23,24)