1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)azepane

Systemtic Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)azepane Openeye Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)azepane CAS Name: 1-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)azepane Traditional Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)azepane Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C13H16N6O2/c20-19(21)11-12(17-6-3-1-2-4-7-17)15-9-16-13(11)18-8-5-14-10-18/h5,8-10H,1-4,6-7H2