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

Systemtic Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]azepane Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H26N6O2/c1-2-19-9-11-21(12-10-19)16-14(22(23)24)15(17-13-18-16)20-7-5-3-4-6-8-20/h13H,2-12H2,1H3