5-[7-(trifluoromethyl)quinolin-3-yl]pyrimidine-2,4-diamine

Systemtic Name: 5-[7-(trifluoromethyl)quinolin-3-yl]pyrimidine-2,4-diamine Openeye Name: 5-[7-(trifluoromethyl)-3-quinolyl]pyrimidine-2,4-diamine CAS Name: 5-[7-(trifluoromethyl)-3-quinolinyl]pyrimidine-2,4-diamine IUPAC Name: 5-[7-(trifluoromethyl)quinolin-3-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[7-(trifluoromethyl)-3-quinolyl]pyrimidin-4-yl]amine Formula: C14H10F3N5 MolecularWeight: 305.25791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=NC=C(C=C21)C3=CN=C(N=C3N)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=NC=C(C=C21)C3=CN=C(N=C3N)N)C(F)(F)F

InChI

InChI=1S/C14H10F3N5/c15-14(16,17)9-2-1-7-3-8(5-20-11(7)4-9)10-6-21-13(19)22-12(10)18/h1-6H,(H4,18,19,21,22)