1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-fluorophenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-fluorophenyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[3,4-d]pyrimidine Formula: C20H19FN7+ MolecularWeight: 376.410163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F

InChI

InChI=1S/C20H18FN7/c21-15-4-6-16(7-5-15)28-20-17(13-25-28)19(23-14-24-20)27-11-9-26(10-12-27)18-3-1-2-8-22-18/h1-8,13-14H,9-12H2/p+1