N4-(4-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-fluorophenyl)-N6-(3-imidazol-1-ylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-fluorophenyl)-N6-[3-(1-imidazolyl)propyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-fluorophenyl)-6-N-(3-imidazol-1-ylpropyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-fluoroanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(3-imidazol-1-ylpropyl)amine Formula: C17H17FN8 MolecularWeight: 352.368883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC3=C2C=NN3)NCCCN4C=CN=C4)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC3=C2C=NN3)NCCCN4C=CN=C4)F

InChI

InChI=1S/C17H17FN8/c18-12-2-4-13(5-3-12)22-15-14-10-21-25-16(14)24-17(23-15)20-6-1-8-26-9-7-19-11-26/h2-5,7,9-11H,1,6,8H2,(H3,20,21,22,23,24,25)