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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(4-ethylphenyl)amine Formula: C19H15ClF3N5O2 MolecularWeight: 437.80291

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClF3N5O2/c1-2-11-3-6-13(7-4-11)26-17-16(28(29)30)18(25-10-24-17)27-15-9-12(19(21,22)23)5-8-14(15)20/h3-10H,2H2,1H3,(H2,24,25,26,27)