4-[[(6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(6-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]methyl]benzoic acid Formula: C15H11BrN4O3 MolecularWeight: 375.17684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NN3C=C(C=NC3=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NN3C=C(C=NC3=C2)Br)C(=O)O

InChI

InChI=1S/C15H11BrN4O3/c16-11-7-17-13-5-12(19-20(13)8-11)14(21)18-6-9-1-3-10(4-2-9)15(22)23/h1-5,7-8H,6H2,(H,18,21)(H,22,23)