[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Formula: C21H20BrN7OS MolecularWeight: 498.3988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C5=NC=C(C=N5)Br

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C5=NC=C(C=N5)Br

InChI

InChI=1S/C21H20BrN7OS/c1-2-29-19-16(13-25-29)15(10-17(26-19)18-4-3-9-31-18)20(30)27-5-7-28(8-6-27)21-23-11-14(22)12-24-21/h3-4,9-13H,2,5-8H2,1H3