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

Systemtic Name: N6-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-nitro-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: [6-[4-chloro-3-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C20H12ClF3N6O2 MolecularWeight: 460.79649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H12ClF3N6O2/c21-14-7-6-11(9-13(14)20(22,23)24)28-18-17(30(31)32)19(27-10-26-18)29-16-5-1-4-15-12(16)3-2-8-25-15/h1-10H,(H2,26,27,28,29)