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

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C17H18N6O2/c24-23(25)15-16(21-9-5-1-2-6-10-21)18-11-19-17(15)22-12-20-13-7-3-4-8-14(13)22/h3-4,7-8,11-12H,1-2,5-6,9-10H2