dimethyl 5-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H13BrN4O5 MolecularWeight: 433.21292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN3C=CC=NC3=C2Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN3C=CC=NC3=C2Br)C(=O)OC

InChI

InChI=1S/C17H13BrN4O5/c1-26-16(24)9-6-10(17(25)27-2)8-11(7-9)20-15(23)13-12(18)14-19-4-3-5-22(14)21-13/h3-8H,1-2H3,(H,20,23)