N-[(6-ethoxy-1-oxidanyl-pyridin-1-ium-3-yl)methyl]-3-ethyl-2-fluoranyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: N-[(6-ethoxy-1-oxidanyl-pyridin-1-ium-3-yl)methyl]-3-ethyl-2-fluoranyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: N-[(6-ethoxy-1-hydroxy-pyridin-1-ium-3-yl)methyl]-3-ethyl-2-fluoro-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: N-[(6-ethoxy-1-hydroxy-3-pyridin-1-iumyl)methyl]-3-ethyl-2-fluoro-5-phenyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: N-[(6-ethoxy-1-hydroxypyridin-1-ium-3-yl)methyl]-3-ethyl-2-fluoro-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (6-ethoxy-1-hydroxy-pyridin-1-ium-3-yl)methyl-(3-ethyl-2-fluoro-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amine Formula: C22H23FN5O2+ MolecularWeight: 408.448723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2N=C(C=C(N2N=C1F)NCC3=C[N+](=C(C=C3)OCC)O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C2N=C(C=C(N2N=C1F)NCC3=C[N+](=C(C=C3)OCC)O)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN5O2/c1-3-17-21(23)26-28-19(12-18(25-22(17)28)16-8-6-5-7-9-16)24-13-15-10-11-20(30-4-2)27(29)14-15/h5-12,14,24,29H,3-4,13H2,1-2H3/q+1