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

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-nitro-N6-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N6-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amine Formula: C17H12ClF3N6O2 MolecularWeight: 424.76439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

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