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

Systemtic Name: N4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N6-(2-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N6-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [3-chloro-5-(trifluoromethyl)-2-pyridyl]-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H14ClF3N6O2 MolecularWeight: 438.79097

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=C(C=C(C=N3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClF3N6O2/c1-2-10-5-3-4-6-13(10)26-16-14(28(29)30)17(25-9-24-16)27-15-12(19)7-11(8-23-15)18(20,21)22/h3-9H,2H2,1H3,(H2,23,24,25,26,27)