[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C13H12BrN3O4/c1-7-5-8(2)16-13(15-7)17-11(18)6-20-12(19)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,16,17,18)