4-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenol

Systemtic Name: 4-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenol Openeye Name: 4-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenol CAS Name: 4-[6-ethyl-2-(trifluoromethyl)-9-purinyl]phenol IUPAC Name: 4-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenol Traditional Name: 4-[6-ethyl-2-(trifluoromethyl)purin-9-yl]phenol Formula: C14H11F3N4O MolecularWeight: 308.25855

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=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N4O/c1-2-10-11-12(20-13(19-10)14(15,16)17)21(7-18-11)8-3-5-9(22)6-4-8/h3-7,22H,2H2,1H3