methyl 4-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C20H15ClN4O2S/c1-27-19(26)13-5-9-15(10-6-13)23-18-16(11-22)17(24-20(25-18)28-2)12-3-7-14(21)8-4-12/h3-10H,1-2H3,(H,23,24,25)