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

Systemtic Name: 1-[6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(4-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-methylpiperidino)-5-nitro-pyrimidin-4-yl]azepane Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C16H25N5O2/c1-13-6-10-20(11-7-13)16-14(21(22)23)15(17-12-18-16)19-8-4-2-3-5-9-19/h12-13H,2-11H2,1H3