dimethyl 5-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(pyrimidin-2-ylamino)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(pyrimidin-2-ylamino)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-(2-pyrimidylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C21H18N4O5/c1-29-19(27)14-9-15(20(28)30-2)12-17(11-14)24-18(26)13-5-3-6-16(10-13)25-21-22-7-4-8-23-21/h3-12H,1-2H3,(H,24,26)(H,22,23,25)