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

Systemtic Name: 1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 1-[3-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinyl]-2-(methylthio)ethanone IUPAC Name: 1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-methylsulfanylethanone Traditional Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidino]-2-(methylthio)ethanone Formula: C20H23BrN6OS MolecularWeight: 475.40522

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

Isomeric SMILES

CSCC(=O)N1CCCC(C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)Br

InChI

InChI=1S/C20H23BrN6OS/c1-29-13-19(28)26-7-3-5-15(12-26)17-8-18(23-10-14-4-2-6-22-9-14)27-20(25-17)16(21)11-24-27/h2,4,6,8-9,11,15,23H,3,5,7,10,12-13H2,1H3