[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 5-bromanylfuran-2-carboxylate Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [3-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(O3)Br)C

InChI

InChI=1S/C17H14BrN3O3/c1-10-8-11(2)20-17(19-10)21-12-4-3-5-13(9-12)23-16(22)14-6-7-15(18)24-14/h3-9H,1-2H3,(H,19,20,21)