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6-AMINO-5-[BIS-[(BENZO-[D]-THIAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-2-MERCAPTO-PYRIMIDIN-4(5H)-ONE
SpectraBase Compound ID ETvEdMBf8kw
InChI InChI=1S/C21H15N5OS5/c22-18-17(19(27)26-21(28)25-18)20(29-9-15-23-11-5-1-3-7-13(11)31-15)30-10-16-24-12-6-2-4-8-14(12)32-16/h1-8H,9-10H2,(H3,22,25,26,27,28)
InChIKey PAXGILFYCXDCGW-UHFFFAOYSA-N
Mol Weight 513.7 g/mol
Molecular Formula C21H15N5OS5
Exact Mass 512.988016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ew2DesqbSgD
Name 6-AMINO-5-[BIS-[(BENZO-[D]-THIAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-2-MERCAPTO-PYRIMIDIN-4(5H)-ONE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N5OS5
InChI InChI=1S/C21H15N5OS5/c22-18-17(19(27)26-21(28)25-18)20(29-9-15-23-11-5-1-3-7-13(11)31-15)30-10-16-24-12-6-2-4-8-14(12)32-16/h1-8H,9-10H2,(H3,22,25,26,27,28)
InChIKey PAXGILFYCXDCGW-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,B.C.VENKATESH,A.MURALIKRISHNA,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,60,449(2012)
Literature Reference DOI 10.1248/cpb.60.449
Molecular Weight 513.683 g/mol
Source File Reference UWBT4718