methyl 4-chloranyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-chloranyl-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-chloro-6-methylsulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-chloro-6-(methylthio)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-chloro-6-(methylthio)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1Cl)C2=CC=CC=C2)SC

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1Cl)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H11ClN2O2S/c1-18-13(17)9-10(14)15-11(16-12(9)19-2)8-6-4-3-5-7-8/h3-7H,1-2H3