1-(4-fluorophenyl)-N-(3-imidazolidin-1-ium-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(4-fluorophenyl)-N-(3-imidazolidin-1-ium-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(4-fluorophenyl)-N-(3-imidazolidin-1-ium-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(4-fluorophenyl)-N-[3-(1-imidazolidin-1-iumyl)propyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(4-fluorophenyl)-N-(3-imidazolidin-1-ium-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-imidazolidin-1-ium-1-ylpropyl)amine Formula: C17H21FN7+ MolecularWeight: 342.393943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CN1)CCCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CN1)CCCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C17H20FN7/c18-13-2-4-14(5-3-13)25-17-15(10-23-25)16(21-11-22-17)20-6-1-8-24-9-7-19-12-24/h2-5,10-11,19H,1,6-9,12H2,(H,20,21,22)/p+1