N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(6-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(6-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(6-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C17H12ClF3N6O2 MolecularWeight: 424.76439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H12ClF3N6O2/c1-9-3-2-4-13(24-9)26-16-14(27(28)29)15(22-8-23-16)25-12-7-10(17(19,20)21)5-6-11(12)18/h2-8H,1H3,(H2,22,23,24,25,26)