3-bromanyl-5-(2-fluorophenyl)-N-[(1-oxidanidyl-6-propan-2-yloxy-pyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-5-(2-fluorophenyl)-N-[(1-oxidanidyl-6-propan-2-yloxy-pyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-5-(2-fluorophenyl)-N-[(6-isopropoxy-1-oxido-pyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-5-(2-fluorophenyl)-N-[(1-oxido-6-propan-2-yloxy-3-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-5-(2-fluorophenyl)-N-[(1-oxido-6-propan-2-yloxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(6-isopropoxy-1-oxido-pyridin-1-ium-3-yl)methyl]amine Formula: C21H19BrFN5O2 MolecularWeight: 472.310263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4F)[O-]

Isomeric SMILES

CC(C)OC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4F)[O-]

InChI

InChI=1S/C21H19BrFN5O2/c1-13(2)30-20-8-7-14(12-27(20)29)10-24-19-9-18(15-5-3-4-6-17(15)23)26-21-16(22)11-25-28(19)21/h3-9,11-13,24H,10H2,1-2H3