N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-5-nitro-N6-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-N6-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-nitro-6-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: [6-[2-chloro-5-(trifluoromethyl)anilino]-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C20H12ClF3N6O2 MolecularWeight: 460.79649

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NC4=C(C=CC(=C4)C(F)(F)F)Cl)[N+](=O)[O-])N=CC=C2

InChI

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