N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H14BrFN4O3 MolecularWeight: 433.231163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H14BrFN4O3/c1-2-11-3-6-13(7-4-11)27-18-16(24(25)26)17(21-10-22-18)23-15-8-5-12(19)9-14(15)20/h3-10H,2H2,1H3,(H,21,22,23)