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

Systemtic Name: N4-[2-chloranyl-5-(trifluoromethyl)phenyl]-N6-quinolin-8-yl-pyrimidine-4,5,6-triamine Openeye Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(8-quinolyl)pyrimidine-4,5,6-triamine CAS Name: N4-[2-chloro-5-(trifluoromethyl)phenyl]-N6-(8-quinolinyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-(8-quinolyl)amine Formula: C20H14ClF3N6 MolecularWeight: 430.81357

Click to see the large picture

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)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)N=CC=C2

InChI

InChI=1S/C20H14ClF3N6/c21-13-7-6-12(20(22,23)24)9-15(13)30-19-16(25)18(27-10-28-19)29-14-5-1-3-11-4-2-8-26-17(11)14/h1-10H,25H2,(H2,27,28,29,30)