N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1H-pyrazolo[3,4-d]pyrimidin-4-yl-[4-(trifluoromethoxy)benzyl]amine Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC3=C2C=NN3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2C=NN3)OC(F)(F)F

InChI

InChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-8(2-4-9)5-17-11-10-6-20-21-12(10)19-7-18-11/h1-4,6-7H,5H2,(H2,17,18,19,20,21)