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

Systemtic Name: N4-[(5-fluoranyl-2-methyl-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-[(5-fluoro-2-methyl-phenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(5-fluoro-2-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-(5-fluoro-2-methyl-benzyl)amine Formula: C13H13FN6 MolecularWeight: 272.280923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CNC2=NC(=NC3=C2C=NN3)N

Isomeric SMILES

CC1=C(C=C(C=C1)F)CNC2=NC(=NC3=C2C=NN3)N

InChI

InChI=1S/C13H13FN6/c1-7-2-3-9(14)4-8(7)5-16-11-10-6-17-20-12(10)19-13(15)18-11/h2-4,6H,5H2,1H3,(H4,15,16,17,18,19,20)