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

Systemtic Name: ethyl 4-[[3-(2-methylpropanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2-methylpropanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(2-methyl-1-oxopropoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methylpropanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-isobutyryloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-5-24-17(23)14-10-19-18(26-4)21-15(14)20-12-7-6-8-13(9-12)25-16(22)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,21)