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

Systemtic Name: ethyl 4-[(3-acetamidophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-acetamidoanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-acetamidoanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-acetamidoanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-acetamidoanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-4-23-15(22)13-9-17-16(24-3)20-14(13)19-12-7-5-6-11(8-12)18-10(2)21/h5-9H,4H2,1-3H3,(H,18,21)(H,17,19,20)