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

Systemtic Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]azepane Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H27N5O2/c1-2-14-9-5-8-12-21(14)17-15(22(23)24)16(18-13-19-17)20-10-6-3-4-7-11-20/h13-14H,2-12H2,1H3