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

Systemtic Name: ethyl 2-methylsulfanyl-4-[(3-methylsulfonyloxyphenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(3-methylsulfonyloxyanilino)pyrimidine-5-carboxylate CAS Name: 4-(3-methylsulfonyloxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(3-methylsulfonyloxyanilino)pyrimidine-5-carboxylate Traditional Name: 4-(3-methylsulfonyloxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O5S2 MolecularWeight: 383.44258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S2/c1-4-22-14(19)12-9-16-15(24-2)18-13(12)17-10-6-5-7-11(8-10)23-25(3,20)21/h5-9H,4H2,1-3H3,(H,16,17,18)