3-[[2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propylazanium

Systemtic Name: 3-[[2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propylazanium Openeye Name: 3-[[2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propylammonium CAS Name: 3-[[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]propylammonium IUPAC Name: 3-[[2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propylazanium Traditional Name: 3-[[2-(3-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propylammonium Formula: C21H21FN5+ MolecularWeight: 362.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)NCCC[NH3+])C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)NCCC[NH3+])C4=CC(=CC=C4)F

InChI

InChI=1S/C21H20FN5/c22-17-9-4-8-16(12-17)19-14-21-25-18(15-6-2-1-3-7-15)13-20(27(21)26-19)24-11-5-10-23/h1-4,6-9,12-14,24H,5,10-11,23H2/p+1