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4-Amino-7-(4-fluorophenyl)-3-methyl-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-3-ium iodide
SpectraBase Compound ID IUvMrxWbTac
InChI InChI=1S/C20H17FN4.HI/c1-13-3-5-14(6-4-13)17-11-25(16-9-7-15(21)8-10-16)20-18(17)19(22)24(2)12-23-20;/h3-12,22H,1-2H3;1H
InChIKey OPRVJNABJBUKEK-UHFFFAOYSA-N
Mol Weight 460.29 g/mol
Molecular Formula C20H18FIN4
Exact Mass 460.05602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VL65AkSNQc
Name 4-Amino-7-(4-fluorophenyl)-3-methyl-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-3-ium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18FIN4
InChI InChI=1S/C20H17FN4.HI/c1-13-3-5-14(6-4-13)17-11-25(16-9-7-15(21)8-10-16)20-18(17)19(22)24(2)12-23-20;/h3-12,22H,1-2H3;1H
InChIKey OPRVJNABJBUKEK-UHFFFAOYSA-N
Molecular Weight 460.295 g/mol
SMILES [I-].Nc1c2c(c[n](c2nc[n+]1C)-c1ccc(cc1)F)-c1ccc(cc1)C
SPLASH splash10-001i-0009000000-9b806f01da3d27976fc0
Source of Spectrum G-75-828-8a
Wiley ID 1744637