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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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