1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-3-methyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H10F3N6O- MolecularWeight: 323.25331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C3=C(C(=N2)C)C(=NC(=N3)C(F)(F)F)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C3=C(C(=N2)C)C(=NC(=N3)C(F)(F)F)[O-])C

InChI

InChI=1S/C13H11F3N6O/c1-5-4-6(2)18-12(17-5)22-9-8(7(3)21-22)10(23)20-11(19-9)13(14,15)16/h4H,1-3H3,(H,19,20,23)/p-1