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#6.2;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE

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#6.2;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
SpectraBase Compound ID 2q8ywxnif7z
InChI InChI=1S/C23H17FN8O3S3/c1-12-20(35)28-19-13-6-2-4-8-15(13)26-22(32(19)31-12)36-10-18(34)27-21-29-30-23(38-21)37-11-17(33)25-16-9-5-3-7-14(16)24/h2-9H,10-11H2,1H3,(H,25,33)(H,27,29,34)
InChIKey DFHGYXFYTJOQFX-UHFFFAOYSA-N
Mol Weight 568.62 g/mol
Molecular Formula C23H17FN8O3S3
Exact Mass 568.056978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eb7EL6F8k8G
Name #6.2;N-[5-[[2-[(2-FLUOROPHENYL)-AMINO]-2-OXOETHYL]-THIO]-1,3,4-THIADIAZOL-2-YL]-2-[(3-METHYL-2-OXO-2H-[1,2,4]-TRIAZINO-[2,3-C]-QUINAZOLIN-6-YL)-THIO]-ACETAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17FN8O3S3
InChI InChI=1S/C23H17FN8O3S3/c1-12-20(35)28-19-13-6-2-4-8-15(13)26-22(32(19)31-12)36-10-18(34)27-21-29-30-23(38-21)37-11-17(33)25-16-9-5-3-7-14(16)24/h2-9H,10-11H2,1H3,(H,25,33)(H,27,29,34)
InChIKey DFHGYXFYTJOQFX-UHFFFAOYSA-N
Literature Reference Author S.I.KOVALENKO,I.S.NOSULENKO,A.Y.VOSKOBOYNIK,G.G.BEREST,L.N.A NTYPENKO,A.N.ANTYPEN
Literature Reference Citation SCI.PHARM.,80,837(2012)
Molecular Weight 568.618 g/mol
Sample ID 73537
Solvent DMSO-D6