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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-(4-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H12BrFN4O3 MolecularWeight: 419.204583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H12BrFN4O3/c1-10-2-5-12(6-3-10)26-17-15(23(24)25)16(20-9-21-17)22-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,20,21,22)