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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-bromo-2-pyridyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-bromopyridin-2-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-bromo-2-pyridyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19BrN6O2 MolecularWeight: 407.26506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H19BrN6O2/c1-2-12-5-3-4-8-22(12)16-14(23(24)25)15(19-10-20-16)21-13-7-6-11(17)9-18-13/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,19,20,21)