ethyl 2-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate

Systemtic Name: ethyl 2-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate Openeye Name: ethyl 2-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate CAS Name: 2-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate Traditional Name: 2-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid ethyl ester Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

InChI

InChI=1S/C21H18BrN5O2/c1-2-29-21(28)16-8-4-3-7-15(16)18-10-19(24-12-14-6-5-9-23-11-14)27-20(26-18)17(22)13-25-27/h3-11,13,24H,2,12H2,1H3