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Propyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
SpectraBase Compound ID HR1SdExojHr
InChI InChI=1S/C9H13N3O3S/c1-2-3-15-8(14)5-16-9-11-6(10)4-7(13)12-9/h4H,2-3,5H2,1H3,(H3,10,11,12,13)
InChIKey BYOKMDSCJPMABM-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C9H13N3O3S
Exact Mass 243.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R6AziEcMgS
Name Propyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
Alternate Name(s) Propyl 2-((4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O3S
InChI InChI=1S/C9H13N3O3S/c1-2-3-15-8(14)5-16-9-11-6(10)4-7(13)12-9/h4H,2-3,5H2,1H3,(H3,10,11,12,13)
InChIKey BYOKMDSCJPMABM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1122
Molecular Weight 243.281 g/mol
SMILES NC=1N=C(SCC(=O)OCCC)NC(C1)=O
SPLASH splash10-07cr-2900000000-059c0dd2db61d43bc622
Source of Spectrum RCM-17-1919-3
Wiley ID 1819901