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

Systemtic Name: ethyl 4-[(3-methylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-methylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3-methylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(m-toluidino)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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