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

Systemtic Name: ethyl 4-[[4-(2-methylpropoxycarbonyloxy)phenyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-isobutoxycarbonyloxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-[2-methylpropoxy(oxo)methoxy]anilino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylpropoxycarbonyloxy)anilino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-isobutoxycarbonyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-5-25-17(23)15-10-20-18(28-4)22-16(15)21-13-6-8-14(9-7-13)27-19(24)26-11-12(2)3/h6-10,12H,5,11H2,1-4H3,(H,20,21,22)