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6-AMINO-5-[BIS-[(BENZO-[D]-OXAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-2-MERCAPTO-PYRIMIDIN-4(5H)-ONE
SpectraBase Compound ID zOOVVjubz8
InChI InChI=1S/C21H15N5O3S3/c22-18-17(19(27)26-21(30)25-18)20(31-9-15-23-11-5-1-3-7-13(11)28-15)32-10-16-24-12-6-2-4-8-14(12)29-16/h1-8H,9-10H2,(H3,22,25,26,27,30)
InChIKey CSJPIQHHQVLPIA-UHFFFAOYSA-N
Mol Weight 481.56 g/mol
Molecular Formula C21H15N5O3S3
Exact Mass 481.033703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFsccsOxA9f
Name 6-AMINO-5-[BIS-[(BENZO-[D]-OXAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-2-MERCAPTO-PYRIMIDIN-4(5H)-ONE
Compound Number 2 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N5O3S3
InChI InChI=1S/C21H15N5O3S3/c22-18-17(19(27)26-21(30)25-18)20(31-9-15-23-11-5-1-3-7-13(11)28-15)32-10-16-24-12-6-2-4-8-14(12)29-16/h1-8H,9-10H2,(H3,22,25,26,27,30)
InChIKey CSJPIQHHQVLPIA-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 481.562 g/mol
Source File Reference UWBT4717