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

Systemtic Name: ethyl 4-[[3-(2,2-dimethylpropanoyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(2,2-dimethylpropanoyloxy)anilino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[3-(2,2-dimethyl-1-oxopropoxy)anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,2-dimethylpropanoyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-pivaloyloxyanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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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)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-6-25-16(23)14-11-20-18(27-5)22-15(14)21-12-8-7-9-13(10-12)26-17(24)19(2,3)4/h7-11H,6H2,1-5H3,(H,20,21,22)