5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(trifluoromethyl)benzyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H9F3N4O MolecularWeight: 294.23197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=NN3)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c14-13(15,16)10-4-2-1-3-8(10)6-20-7-17-11-9(12(20)21)5-18-19-11/h1-5,7H,6H2,(H,18,19)