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

Systemtic Name: 1-(6-chloranyl-5-nitro-pyrimidin-4-yl)azepane Openeye Name: 1-(6-chloro-5-nitro-pyrimidin-4-yl)azepane CAS Name: 1-(6-chloro-5-nitro-4-pyrimidinyl)azepane IUPAC Name: 1-(6-chloro-5-nitropyrimidin-4-yl)azepane Traditional Name: 1-(6-chloro-5-nitro-pyrimidin-4-yl)azepane Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN4O2/c11-9-8(15(16)17)10(13-7-12-9)14-5-3-1-2-4-6-14/h7H,1-6H2