ethyl 4-[(4-chlorophenyl)amino]-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)amino]-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloroanilino)-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-(4-chloroanilino)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloroanilino)-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-chloroanilino)-2-(2-thienyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H14ClN3O2S MolecularWeight: 359.82996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)Cl)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)Cl)C3=CC=CS3

InChI

InChI=1S/C17H14ClN3O2S/c1-2-23-17(22)13-10-19-16(14-4-3-9-24-14)21-15(13)20-12-7-5-11(18)6-8-12/h3-10H,2H2,1H3,(H,19,20,21)