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

Systemtic Name: methyl 4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoate Traditional Name: 4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C3=CC=CC=C3)SC

InChI

InChI=1S/C19H17N3O2S/c1-24-18(23)14-8-10-15(11-9-14)20-17-12-16(21-19(22-17)25-2)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21,22)