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

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinolate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-methyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H7F3N5OS- MolecularWeight: 350.29849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C(F)(F)F)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C(F)(F)F)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H8F3N5OS/c1-6-9-10(19-12(14(15,16)17)20-11(9)23)22(21-6)13-18-7-4-2-3-5-8(7)24-13/h2-5H,1H3,(H,19,20,23)/p-1