3-bromanyl-5-(4-fluorophenyl)-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-5-(4-fluorophenyl)-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-5-(4-fluorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-5-(4-fluorophenyl)-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-5-(4-fluorophenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-bromo-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C18H13BrFN5O MolecularWeight: 414.231123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H13BrFN5O/c19-15-10-22-25-17(21-9-12-2-1-7-24(26)11-12)8-16(23-18(15)25)13-3-5-14(20)6-4-13/h1-8,10-11,21H,9H2