3-ethyl-5-(2-fluorophenyl)-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-ethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C20H18FN5O MolecularWeight: 363.388223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])C4=CC=CC=C4F

Isomeric SMILES

CCC1=C2N=C(C=C(N2N=C1)NCC3=C[N+](=CC=C3)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C20H18FN5O/c1-2-15-12-23-26-19(22-11-14-6-5-9-25(27)13-14)10-18(24-20(15)26)16-7-3-4-8-17(16)21/h3-10,12-13,22H,2,11H2,1H3