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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-N4-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C18H13ClF3N5O2 MolecularWeight: 423.77633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

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