methyl 4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 4-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-benzylsulfanyl-4-chloro-6-[(3-chloro-4-methoxy-phenyl)methylamino]pyrimidine-5-carboxylate CAS Name: 4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-4-chloro-6-[(3-chloro-4-methoxyphenyl)methylamino]pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-chloro-6-[(3-chloro-4-methoxy-benzyl)amino]pyrimidine-5-carboxylic acid methyl ester Formula: C21H19Cl2N3O3S MolecularWeight: 464.36486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C(=O)OC)Cl

InChI

InChI=1S/C21H19Cl2N3O3S/c1-28-16-9-8-14(10-15(16)22)11-24-19-17(20(27)29-2)18(23)25-21(26-19)30-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H,24,25,26)