methyl 2-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate Openeye Name: methyl 2-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexanecarboxylate CAS Name: 2-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate Traditional Name: 2-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexanecarboxylic acid methyl ester Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

Isomeric SMILES

COC(=O)C1CCCCC1C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

InChI

InChI=1S/C20H22BrN5O2/c1-28-20(27)15-7-3-2-6-14(15)17-9-18(23-11-13-5-4-8-22-10-13)26-19(25-17)16(21)12-24-26/h4-5,8-10,12,14-15,23H,2-3,6-7,11H2,1H3