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4-[[6-(2-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone
SpectraBase Compound ID 86Xd7iufjUw
InChI InChI=1S/C21H17FN8O2/c1-12-16(21(31)30(29(12)2)13-8-4-3-5-9-13)24-18-17(23-15-11-7-6-10-14(15)22)25-19-20(26-18)28-32-27-19/h3-11H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKey DTUOOAUMIWGTOF-UHFFFAOYSA-N
Mol Weight 432.42 g/mol
Molecular Formula C21H17FN8O2
Exact Mass 432.14585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYu24oD2xLL
Name 4-[[6-(2-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone
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Formula C21H17FN8O2
InChI InChI=1S/C21H17FN8O2/c1-12-16(21(31)30(29(12)2)13-8-4-3-5-9-13)24-18-17(23-15-11-7-6-10-14(15)22)25-19-20(26-18)28-32-27-19/h3-11H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKey DTUOOAUMIWGTOF-UHFFFAOYSA-N
Molecular Weight 432.419 g/mol
SMILES N(c1c(nc2c(n1)non2)NC=1C(N(N(C1C)C)c1ccccc1)=O)c1ccccc1F
SPLASH splash10-0a4i-9310100000-ebd9fcf871e01320aabd
Synonyms 4-[[6-(2-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-[[6-(2-fluoroanilino)furazano[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one 4-[[6-[(2-fluorophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one 4-{[6-(2-fluoroanilino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Wiley ID 1438452