3-methyl-1-phenyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 3-methyl-1-phenyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 3-methyl-1-phenyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 3-methyl-1-phenyl-6-(trichloromethyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 3-methyl-1-phenyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 3-methyl-1-phenyl-6-(trichloromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C13H8Cl3N4O- MolecularWeight: 342.58782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl3N4O/c1-7-9-10(17-12(13(14,15)16)18-11(9)21)20(19-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,17,18,21)/p-1