methyl 6-azanylidene-1-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-azanylidene-1-(4-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-6-imino-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-(4-chlorophenyl)-6-imino-2-(methylthio)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-6-imino-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(4-chlorophenyl)-6-imino-2-(methylthio)pyrimidine-5-carboxylic acid methyl ester Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N(C1=N)C2=CC=C(C=C2)Cl)SC

Isomeric SMILES

COC(=O)C1=CN=C(N(C1=N)C2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C13H12ClN3O2S/c1-19-12(18)10-7-16-13(20-2)17(11(10)15)9-5-3-8(14)4-6-9/h3-7,15H,1-2H3