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

Systemtic Name: N-(4-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-fluorophenyl)-6-(4-methyl-1-piperazin-4-iumyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-(4-fluorophenyl)-6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-fluorophenyl)-[6-(4-methylpiperazin-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C16H19FN7+ MolecularWeight: 328.367363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C16H18FN7/c1-23-6-8-24(9-7-23)16-20-14(13-10-18-22-15(13)21-16)19-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H2,18,19,20,21,22)/p+1