ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H11F3N6O2 MolecularWeight: 340.26065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC=NC3=C2C=NN3C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC=NC3=C2C=NN3C)C(F)(F)F

InChI

InChI=1S/C13H11F3N6O2/c1-3-24-12(23)7-4-20-22(9(7)13(14,15)16)11-8-5-19-21(2)10(8)17-6-18-11/h4-6H,3H2,1-2H3