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

Systemtic Name: N4-(4-bromanyl-2-fluoranyl-phenyl)-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-bromo-2-fluoro-phenyl)-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromo-2-fluorophenyl)-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromo-2-fluoro-anilino)-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C17H13BrFN5O2 MolecularWeight: 418.219823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrFN5O2/c1-10-4-2-3-5-13(10)22-16-15(24(25)26)17(21-9-20-16)23-14-7-6-11(18)8-12(14)19/h2-9H,1H3,(H2,20,21,22,23)