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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-(4-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(p-tolyl)pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C18H13ClF3N5O2 MolecularWeight: 423.77633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=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/C18H13ClF3N5O2/c1-10-2-5-12(6-3-10)25-16-15(27(28)29)17(24-9-23-16)26-14-8-11(18(20,21)22)4-7-13(14)19/h2-9H,1H3,(H2,23,24,25,26)