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

Systemtic Name: ethyl 4-[(4-methoxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methoxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-methoxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(p-anisidino)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-4-21-14(19)12-9-16-15(22-3)18-13(12)17-10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3,(H,16,17,18)