[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1-benzofuran-2-carboxylate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1-benzofuran-2-carboxylate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H17N3O3/c1-13-10-14(2)23-21(22-13)24-16-7-5-8-17(12-16)26-20(25)19-11-15-6-3-4-9-18(15)27-19/h3-12H,1-2H3,(H,22,23,24)