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

Systemtic Name: methyl 4-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(5-cyano-2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[5-cyano-2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-cyano-2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[5-cyano-2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c1-26-19(25)14-8-10-15(11-9-14)22-18-16(12-21)17(23-20(24-18)27-2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,22,23,24)