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

Systemtic Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]azepane Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O2/c22-21(23)14-15(19-9-5-1-2-6-10-19)17-13-18-16(14)20-11-7-3-4-8-12-20/h13H,1-12H2