ethyl 4-[(2,4-dichlorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15Cl2N3O2S MolecularWeight: 372.2695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCC2=C(C=C(C=C2)Cl)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCC2=C(C=C(C=C2)Cl)Cl)SC

InChI

InChI=1S/C15H15Cl2N3O2S/c1-3-22-14(21)11-8-19-15(23-2)20-13(11)18-7-9-4-5-10(16)6-12(9)17/h4-6,8H,3,7H2,1-2H3,(H,18,19,20)