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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(2-phenylethanoyloxy)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(2-phenylacetyl)oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(1-oxo-2-phenylethoxy)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(2-phenylacetyl)oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(2-phenylacetyl)oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)CC3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)OC(=O)CC3=CC=CC=C3)SC

InChI

InChI=1S/C22H21N3O4S/c1-3-28-21(27)18-14-23-22(30-2)25-20(18)24-16-9-11-17(12-10-16)29-19(26)13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,23,24,25)