5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]isophthalate Formula: C19H13N3O4S-2 MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S/c1-27-19-21-15(11-5-3-2-4-6-11)10-16(22-19)20-14-8-12(17(23)24)7-13(9-14)18(25)26/h2-10H,1H3,(H,23,24)(H,25,26)(H,20,21,22)/p-2