1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3-chlorophenyl)-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H6ClF3N4O MolecularWeight: 314.65045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C3=NC(=NC(=O)C3=CN2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C3=NC(=NC(=O)C3=CN2)C(F)(F)F

InChI

InChI=1S/C12H6ClF3N4O/c13-6-2-1-3-7(4-6)20-9-8(5-17-20)10(21)19-11(18-9)12(14,15)16/h1-5,17H