ethyl 4-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-cyano-2-methylsulfanyl-6-(p-tolyl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-cyano-6-(4-methylphenyl)-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-6-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-cyano-2-(methylthio)-6-(p-tolyl)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2S/c1-4-28-21(27)16-9-11-17(12-10-16)24-20-18(13-23)19(25-22(26-20)29-3)15-7-5-14(2)6-8-15/h5-12H,4H2,1-3H3,(H,24,25,26)