ethyl 4-[(3-bromanyl-4-methyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(3-bromanyl-4-methyl-phenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-bromo-4-methyl-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3-bromo-4-methyl-anilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O2S/c1-4-21-14(20)11-8-17-15(22-3)19-13(11)18-10-6-5-9(2)12(16)7-10/h5-8H,4H2,1-3H3,(H,17,18,19)