1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H7ClF3N4O- MolecularWeight: 327.66909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C(F)(F)F)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C(F)(F)F)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H8ClF3N4O/c1-6-9-10(18-12(13(15,16)17)19-11(9)22)21(20-6)8-4-2-3-7(14)5-8/h2-5H,1H3,(H,18,19,22)/p-1