1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole

Systemtic Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]benzimidazole Openeye Name: 1-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]benzimidazole CAS Name: 1-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]benzimidazole IUPAC Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]benzimidazole Traditional Name: 1-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]benzimidazole Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H20N6O2/c1-2-13-7-5-6-10-22(13)17-16(24(25)26)18(20-11-19-17)23-12-21-14-8-3-4-9-15(14)23/h3-4,8-9,11-13H,2,5-7,10H2,1H3