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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-N6-(2-fluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(2-fluorophenyl)amine Formula: C16H10BrF2N5O2 MolecularWeight: 422.183706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrF2N5O2/c17-9-5-6-13(11(19)7-9)23-16-14(24(25)26)15(20-8-21-16)22-12-4-2-1-3-10(12)18/h1-8H,(H2,20,21,22,23)