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

Systemtic Name: (1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: [1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridin-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: [1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridin-4-yl]-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C22H21N7O3S MolecularWeight: 463.51224

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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=CN=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O3S/c1-2-28-21-17(14-24-28)16(12-18(25-21)19-4-3-11-33-19)22(30)27-9-7-26(8-10-27)15-5-6-20(23-13-15)29(31)32/h3-6,11-14H,2,7-10H2,1H3