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6-[(4'-METHOXYBENZYL)-SULFANYL]-2,4-PYRIMIDINEDIAMINE
SpectraBase Compound ID 95wlemC4MtH
InChI InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKey SMBANLHZRGNZKV-UHFFFAOYSA-N
Mol Weight 262.33 g/mol
Molecular Formula C12H14N4OS
Exact Mass 262.088832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjUTvoZzws0
Name 6-[(4'-METHOXYBENZYL)-SULFANYL]-2,4-PYRIMIDINEDIAMINE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4OS
InChI InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKey SMBANLHZRGNZKV-UHFFFAOYSA-N
Literature Reference Author L.B.TULLOCH,V.P.MARTINI,J.IULEK,J.K.HUGGAN,J.H.LEE,C.L.GIBSO N,T.K.SMITH,C.J.SUCK
Literature Reference Citation J.MED.CHEM.,53,221(2010)
Literature Reference DOI 10.1021/jm901059x
Molecular Weight 262.329 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45178