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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-bromo-2-pyridyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-bromopyridin-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-bromo-2-pyridyl)-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H18BrN7O2 MolecularWeight: 408.25312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H18BrN7O2/c1-2-21-5-7-22(8-6-21)15-13(23(24)25)14(18-10-19-15)20-12-4-3-11(16)9-17-12/h3-4,9-10H,2,5-8H2,1H3,(H,17,18,19,20)