6-(azepan-1-yl)-N-(5-bromanylpyridin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(5-bromanylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(5-bromo-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(5-bromo-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(5-bromopyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-bromo-2-pyridyl)amine Formula: C15H17BrN6O2 MolecularWeight: 393.23848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H17BrN6O2/c16-11-5-6-12(17-9-11)20-14-13(22(23)24)15(19-10-18-14)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8H2,(H,17,18,19,20)