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

Systemtic Name: 1-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(4-fluorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C18H22FN6O+ MolecularWeight: 357.405283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C18H21FN6O/c19-14-2-4-15(5-3-14)25-18-16(12-23-25)17(21-13-22-18)20-6-1-7-24-8-10-26-11-9-24/h2-5,12-13H,1,6-11H2,(H,20,21,22)/p+1