N6-(4-bromophenyl)-N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-bromophenyl)-N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromophenyl)-N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromophenyl)-N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromophenyl)-4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C16H9BrClF3N6O2 MolecularWeight: 489.63387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C16H9BrClF3N6O2/c17-9-1-3-10(4-2-9)25-14-12(27(28)29)15(24-7-23-14)26-13-11(18)5-8(6-22-13)16(19,20)21/h1-7H,(H2,22,23,24,25,26)