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5-Thyminil-5,6-dihydrothymine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Thyminil-5,6-dihydrothymine
SpectraBase Compound ID 2ChgZwEhk3u
InChI InChI=1S/C10H12N4O4/c1-10(4-12-9(18)14-7(10)16)2-5-3-11-8(17)13-6(5)15/h3H,2,4H2,1H3,(H2,11,13,15,17)(H2,12,14,16,18)
InChIKey RQDDFAKFBFKUBC-UHFFFAOYSA-N
Mol Weight 252.23 g/mol
Molecular Formula C10H12N4O4
Exact Mass 252.085855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXagUiqM6PO
Name 5-Thyminil-5,6-dihydrothymine
CAS Registry Number 28100-77-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O4
InChI InChI=1S/C10H12N4O4/c1-10(4-12-9(18)14-7(10)16)2-5-3-11-8(17)13-6(5)15/h3H,2,4H2,1H3,(H2,11,13,15,17)(H2,12,14,16,18)
InChIKey RQDDFAKFBFKUBC-UHFFFAOYSA-N
Molecular Weight 252.230 g/mol
SMILES N1C(NC=C(CC2(CNC(=O)NC2=O)C)C1=O)=O
SPLASH splash10-004i-0900000000-010a221009c9e82ba708
Source of Spectrum J-44-1416-0
Synonyms 5-Thyminyl-5,6-dihydrothymine 5-[(2,4-diketo-5-methyl-hexahydropyrimidin-5-yl)methyl]uracil 5-[(5-methyl-2,4-dioxo-1,3-diazinan-5-yl)methyl]-1H-pyrimidine-2,4-dione 5-[(5-methyl-2,4-dioxo-hexahydropyrimidin-5-yl)methyl]-1H-pyrimidine-2,4-dione 5-[[5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]-1H-pyrimidine-2,4-dione
Wiley ID 1255034