1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[3-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidino]-2-(phenylthio)ethanone Formula: C25H25BrN6OS MolecularWeight: 537.4746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NCC5=CN=CC=C5)Br

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=CC=C2)C3=NC4=C(C=NN4C(=C3)NCC5=CN=CC=C5)Br

InChI

InChI=1S/C25H25BrN6OS/c26-21-15-29-32-23(28-14-18-6-4-10-27-13-18)12-22(30-25(21)32)19-7-5-11-31(16-19)24(33)17-34-20-8-2-1-3-9-20/h1-4,6,8-10,12-13,15,19,28H,5,7,11,14,16-17H2