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

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-N-(3-fluorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-N-(3-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]-(3-fluorophenyl)amine Formula: C23H25FN7+ MolecularWeight: 418.489903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN7/c1-2-29-11-13-30(14-12-29)23-27-21(26-18-8-6-7-17(24)15-18)20-16-25-31(22(20)28-23)19-9-4-3-5-10-19/h3-10,15-16H,2,11-14H2,1H3,(H,26,27,28)/p+1