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1-(3'-DEOXY-5'-O-TRIPHENYLMETHYL-BETA-D-THYMIDIN-3'-YL)-3-(4-CHLORO-3-(TRIFLUOROMETHYL)-PHENYL)-THIOUREA
SpectraBase Compound ID 6JZPQmgZ36o
InChI InChI=1S/C37H32ClF3N4O4S/c1-23-21-45(35(47)44-33(23)46)32-20-30(43-34(50)42-27-17-18-29(38)28(19-27)37(39,40)41)31(49-32)22-48-36(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-19,21,30-32H,20,22H2,1H3,(H2,42,43,50)(H,44,46,47)/t30-,31+,32-/m1/s1
InChIKey DMHANHXEZBTSGC-YKILCQELSA-N
Mol Weight 721.2 g/mol
Molecular Formula C37H32ClF3N4O4S
Exact Mass 720.178489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANdP9tmPL3R
Name 1-(3'-DEOXY-5'-O-TRIPHENYLMETHYL-BETA-D-THYMIDIN-3'-YL)-3-(4-CHLORO-3-(TRIFLUOROMETHYL)-PHENYL)-THIOUREA
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H32ClF3N4O4S
InChI InChI=1S/C37H32ClF3N4O4S/c1-23-21-45(35(47)44-33(23)46)32-20-30(43-34(50)42-27-17-18-29(38)28(19-27)37(39,40)41)31(49-32)22-48-36(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-19,21,30-32H,20,22H2,1H3,(H2,42,43,50)(H,44,46,47)/t30-,31+,32-/m1/s1
InChIKey DMHANHXEZBTSGC-YKILCQELSA-N
Literature Reference Author S.VANPOECKE,A.NEGRI,F.GAGO,I.VANDAELE,N.SOLAROLI,A.KARLSSON, J.BALZARINI,S.VANCAL
Literature Reference Citation J.MED.CHEM.,53,2902(2010)
Literature Reference DOI 10.1021/jm901532h
Molecular Weight 721.194 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46600