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

Systemtic Name: ethyl 2-[[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexanecarboxylate CAS Name: 2-[[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C21H25BrN6O2 MolecularWeight: 473.3662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1NC2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1CCCCC1NC2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

InChI

InChI=1S/C21H25BrN6O2/c1-2-30-21(29)15-7-3-4-8-17(15)26-18-10-19(24-12-14-6-5-9-23-11-14)28-20(27-18)16(22)13-25-28/h5-6,9-11,13,15,17,24H,2-4,7-8,12H2,1H3,(H,26,27)