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

Systemtic Name: ethyl 4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyanilino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyanilino)-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3,4-dimethoxyanilino)-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-5-23-15(20)11-9-17-16(24-4)19-14(11)18-10-6-7-12(21-2)13(8-10)22-3/h6-9H,5H2,1-4H3,(H,17,18,19)