4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile

Systemtic Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Openeye Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxyphthalonitrile CAS Name: 4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxyphthalonitrile Formula: C21H16N8O3 MolecularWeight: 428.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H16N8O3/c22-12-15-4-5-17(11-16(15)13-23)32-21-19(29(30)31)20(25-14-26-21)28-9-7-27(8-10-28)18-3-1-2-6-24-18/h1-6,11,14H,7-10H2