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

Systemtic Name: ethyl 4-[(2-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-methylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(o-toluidino)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC=C2C)SC

InChI

InChI=1S/C15H17N3O2S/c1-4-20-14(19)11-9-16-15(21-3)18-13(11)17-12-8-6-5-7-10(12)2/h5-9H,4H2,1-3H3,(H,16,17,18)