6-ethyl-9-pyridin-4-yl-2-(trifluoromethyl)purine

Systemtic Name: 6-ethyl-9-pyridin-4-yl-2-(trifluoromethyl)purine Openeye Name: 6-ethyl-9-(4-pyridyl)-2-(trifluoromethyl)purine CAS Name: 6-ethyl-9-pyridin-4-yl-2-(trifluoromethyl)purine IUPAC Name: 6-ethyl-9-pyridin-4-yl-2-(trifluoromethyl)purine Traditional Name: 6-ethyl-9-(4-pyridyl)-2-(trifluoromethyl)purine Formula: C13H10F3N5 MolecularWeight: 293.24721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=NC=C3

Isomeric SMILES

CCC1=C2C(=NC(=N1)C(F)(F)F)N(C=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H10F3N5/c1-2-9-10-11(20-12(19-9)13(14,15)16)21(7-18-10)8-3-5-17-6-4-8/h3-7H,2H2,1H3