1-[3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]ethanone

Systemtic Name: 1-[3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]ethanone Openeye Name: 1-[3-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]ethanone CAS Name: 1-[3-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]ethanone IUPAC Name: 1-[3-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]ethanone Traditional Name: 1-[3-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxyphenyl]ethanone Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H20N6O4/c1-15(28)16-5-4-6-17(13-16)31-21-19(27(29)30)20(23-14-24-21)26-11-9-25(10-12-26)18-7-2-3-8-22-18/h2-8,13-14H,9-12H2,1H3