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

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-methoxy-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-(methylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-methoxy-2-(methylthio)pyrimidine-5-carboxylic acid methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C(=NC(=N2)SC)OC)C(=O)OC)Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-22-11-6-5-9(7-10(11)17)8-18-13-12(15(21)24-3)14(23-2)20-16(19-13)25-4/h5-7H,8H2,1-4H3,(H,18,19,20)