N-(3-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(3-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(3-fluorophenyl)-6-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-fluorophenyl)-[6-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H23FN7+ MolecularWeight: 404.463323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC(=CC=C5)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)NC5=CC(=CC=C5)F

InChI

InChI=1S/C22H22FN7/c1-28-10-12-29(13-11-28)22-26-20(25-17-7-5-6-16(23)14-17)19-15-24-30(21(19)27-22)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)/p+1