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

Systemtic Name: 4-[(4-chlorophenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(4-chloroanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(4-chloroanilino)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(4-chloroanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(4-chloroanilino)-2-(methylthio)pyrimidine-5-carboxylate Formula: C12H9ClN3O2S- MolecularWeight: 294.73676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C12H10ClN3O2S/c1-19-12-14-6-9(11(17)18)10(16-12)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,18)(H,14,15,16)/p-1