N4-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(2,4,5-trifluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[(2,4,5-trifluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(2,4,5-trifluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(2,4,5-trifluorobenzyl)amine Formula: C12H9F3N6 MolecularWeight: 294.23527

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1F)F)F)CNC2=NC(=NC3=C2C=NN3)N

Isomeric SMILES

C1=C(C(=CC(=C1F)F)F)CNC2=NC(=NC3=C2C=NN3)N

InChI

InChI=1S/C12H9F3N6/c13-7-2-9(15)8(14)1-5(7)3-17-10-6-4-18-21-11(6)20-12(16)19-10/h1-2,4H,3H2,(H4,16,17,18,19,20,21)