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

Systemtic Name: N4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(2-chloro-6-fluoro-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(2-chloro-6-fluoro-benzyl)amine Formula: C12H10ClFN6 MolecularWeight: 292.699403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClFN6/c13-8-2-1-3-9(14)6(8)4-16-10-7-5-17-20-11(7)19-12(15)18-10/h1-3,5H,4H2,(H4,15,16,17,18,19,20)