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5-AMINO-2-(TERT.-BUTOXYCARBONYLMETHYLSULFANYL)-4-MORPHOLINO-THIENO-[2,3-D]-PYRIMIDIN-6-CARBOXYLIC-ACID-TERT.-BUTYLESTER
SpectraBase Compound ID J0LJAay96SG
InChI InChI=1S/C21H30N4O5S2/c1-20(2,3)29-12(26)11-31-19-23-16(25-7-9-28-10-8-25)13-14(22)15(32-17(13)24-19)18(27)30-21(4,5)6/h7-11,22H2,1-6H3
InChIKey ICDNENMUSLUHTB-UHFFFAOYSA-N
Mol Weight 482.61 g/mol
Molecular Formula C21H30N4O5S2
Exact Mass 482.165762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wfqu1XBbxd
Name 5-AMINO-2-(TERT.-BUTOXYCARBONYLMETHYLSULFANYL)-4-MORPHOLINO-THIENO-[2,3-D]-PYRIMIDIN-6-CARBOXYLIC-ACID-TERT.-BUTYLESTER
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N4O5S2
InChI InChI=1S/C21H30N4O5S2/c1-20(2,3)29-12(26)11-31-19-23-16(25-7-9-28-10-8-25)13-14(22)15(32-17(13)24-19)18(27)30-21(4,5)6/h7-11,22H2,1-6H3
InChIKey ICDNENMUSLUHTB-UHFFFAOYSA-N
Literature Reference Author D.BRIEL,S.DRESCHER,B.DOBNER
Literature Reference Citation J.HETCYCL.CHEM.,42,841(2005)
Literature Reference DOI 10.1002/jhet.5570420514
Molecular Weight 482.613 g/mol
Sample ID 60968
Solvent CDCl3