1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole Openeye Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]benzotriazole CAS Name: 1-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]benzotriazole Traditional Name: 1-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]benzotriazole Formula: C19H17N9O2 MolecularWeight: 403.39738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H17N9O2/c29-28(30)17-18(26-11-9-25(10-12-26)16-7-3-4-8-20-16)21-13-22-19(17)27-15-6-2-1-5-14(15)23-24-27/h1-8,13H,9-12H2