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

Systemtic Name: 2-[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl]acetate CAS Name: 2-[4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl]acetate IUPAC Name: 2-[4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl]acetate Formula: C19H16N3O2S- MolecularWeight: 350.41424

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-25-19-21-16(14-5-3-2-4-6-14)12-17(22-19)20-15-9-7-13(8-10-15)11-18(23)24/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)/p-1