N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H11BrClFN4O3 MolecularWeight: 453.649643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrClFN4O3/c1-9-6-11(3-4-12(9)19)27-17-15(24(25)26)16(21-8-22-17)23-14-5-2-10(18)7-13(14)20/h2-8H,1H3,(H,21,22,23)