4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidine Formula: C17H20FN6+ MolecularWeight: 327.379303

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C17H19FN6/c1-2-22-7-9-23(10-8-22)16-15-11-21-24(17(15)20-12-19-16)14-5-3-13(18)4-6-14/h3-6,11-12H,2,7-10H2,1H3/p+1