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5-[(Sec-butylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AHEIG0YrbU9
InChI InChI=1S/C9H13N3O3/c1-3-5(2)10-4-6-7(13)11-9(15)12-8(6)14/h4-5,10H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKey IALPNQFDEZWYCI-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C9H13N3O3
Exact Mass 211.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8QRVpEJBjh
Name 5-[(Sec-butylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CAS Registry Number 346612-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O3
InChI InChI=1S/C9H13N3O3/c1-3-5(2)10-4-6-7(13)11-9(15)12-8(6)14/h4-5,10H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKey IALPNQFDEZWYCI-UHFFFAOYSA-N
Molecular Weight 211.221 g/mol
SMILES N1C(NC(C(=CNC(CC)C)C1=O)=O)=O
SPLASH splash10-001i-5920000000-bc50cc09ae7ffdcb9a2f
Source of Spectrum AD-0-2532-0
Synonyms 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[(1-methylpropyl)amino]methylene]- 5-[(butan-2-ylamino)methylidene]-1,3-diazinane-2,4,6-trione 5-[(sec-butylamino)methylene]barbituric acid 5-[(sec-butylamino)methylene]hexahydropyrimidine-2,4,6-trione
Wiley ID 1429673