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

Systemtic Name: 3-ethyl-5-(2-fluorophenyl)-N-[(6-methoxy-1-oxidanyl-pyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxy-6-methoxy-pyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxy-6-methoxy-3-pyridin-1-iumyl)methyl]-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxy-6-methoxypyridin-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-hydroxy-6-methoxy-pyridin-1-ium-3-yl)methyl]amine Formula: C21H21FN5O2+ MolecularWeight: 394.422143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN5O2/c1-3-15-12-24-27-19(23-11-14-8-9-20(29-2)26(28)13-14)10-18(25-21(15)27)16-6-4-5-7-17(16)22/h4-10,12-13,23,28H,3,11H2,1-2H3/q+1