1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]benzotriazole IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]benzotriazole Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzotriazole Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H17N7O2/c24-23(25)14-15(21-9-5-1-2-6-10-21)17-11-18-16(14)22-13-8-4-3-7-12(13)19-20-22/h3-4,7-8,11H,1-2,5-6,9-10H2