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#1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER

View entire compound with spectra: 4 NMR

#1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER
SpectraBase Compound ID 2nnluXl6dNG
InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
InChIKey OOQXPATWSOGSAV-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C20H20N8O
Exact Mass 388.176007 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDtTnIjiDEY
Name #1;BMS-645737;5-ISOPROPYL-6-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-N-(2-METHYL-1H-PYRROLO-[2,3-B]-PYRIDIN-5-YL)-PYRROLO-[2,1-F]-[1,2,4]-TRIAZIN-4-AMINE;MAJOR-TAUTOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N8O
InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
InChIKey OOQXPATWSOGSAV-UHFFFAOYSA-N
Literature Reference Author B.M.JOHNSON,A.V.KAMATH,J.E.LEET,X.LIU,R.S.BHIDE,R.W.TEJWANI, Y.ZHANG,L.QIAN,D.D.W
Literature Reference Citation DRUG.MET.DISP.,36,2475(2008)
Literature Reference DOI 10.1124/dmd.108.022624
Solvent DMSO-D6
Source File Reference UWLU74108