N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(3-chlorophenyl)amine Formula: C16H10BrClFN5O2 MolecularWeight: 438.638303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrClFN5O2/c17-9-4-5-13(12(19)6-9)23-16-14(24(25)26)15(20-8-21-16)22-11-3-1-2-10(18)7-11/h1-8H,(H2,20,21,22,23)