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

Systemtic Name: ethyl 4-[(2-tert-butylphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-tert-butylanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-tert-butylanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-tert-butylanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2-tert-butylanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-6-23-16(22)12-11-19-17(24-5)21-15(12)20-14-10-8-7-9-13(14)18(2,3)4/h7-11H,6H2,1-5H3,(H,19,20,21)