N-(4-bromanyl-2-fluoranyl-phenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H19BrFN5O2 MolecularWeight: 424.267463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrFN5O2/c1-2-12-5-3-4-8-23(12)17-15(24(25)26)16(20-10-21-17)22-14-7-6-11(18)9-13(14)19/h6-7,9-10,12H,2-5,8H2,1H3,(H,20,21,22)