1,4,6-trimethyl-3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-pyrazolo[3,4-b]pyridine

Systemtic Name: 1,4,6-trimethyl-3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-pyrazolo[3,4-b]pyridine Openeye Name: 1,4,6-trimethyl-3-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxy-pyrazolo[3,4-b]pyridine CAS Name: 1,4,6-trimethyl-3-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]pyrazolo[3,4-b]pyridine IUPAC Name: 1,4,6-trimethyl-3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxypyrazolo[3,4-b]pyridine Traditional Name: 1,4,6-trimethyl-3-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxy-pyrazolo[3,4-b]pyridine Formula: C22H23N9O3 MolecularWeight: 461.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=NN2C)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=NN2C)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5)C

InChI

InChI=1S/C22H23N9O3/c1-14-12-15(2)26-19-17(14)21(27-28(19)3)34-22-18(31(32)33)20(24-13-25-22)30-10-8-29(9-11-30)16-6-4-5-7-23-16/h4-7,12-13H,8-11H2,1-3H3