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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C3C(=NC=NC3=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C3C(=NC=NC3=O)N2

InChI

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