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5,6-Bis(2-acetylaminoethyl)thio-1-methyl-1H-pyrimidine-2,4-dione
SpectraBase Compound ID ETvxk8R0F3b
InChI InChI=1S/C13H20N4O4S2/c1-8(18)14-4-6-22-10-11(20)16-13(21)17(3)12(10)23-7-5-15-9(2)19/h4-7H2,1-3H3,(H,14,18)(H,15,19)(H,16,20,21)
InChIKey RYCCSXJRGHOMQP-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C13H20N4O4S2
Exact Mass 360.092597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qaBH54gZ1o
Name 5,6-Bis(2-acetylaminoethyl)thio-1-methyl-1H-pyrimidine-2,4-dione
Alternate Name(s) N-{2-[(5-{[2-(acetylamino)ethyl]sulfanyl}-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)sulfanyl]ethyl}acetamide N-[2-[[6-(2-acetamidoethylthio)-1-methyl-2,4-dioxo-5-pyrimidinyl]thio]ethyl]acetamide N-[2-[6-(2-acetamidoethylsulfanyl)-1-methyl-2,4-dioxopyrimidin-5-yl]sulfanylethyl]acetamide N-[2-[6-(2-acetamidoethylsulfanyl)-1-methyl-2,4-dioxo-pyrimidin-5-yl]sulfanylethyl]acetamide N-[2-[6-(2-acetamidoethylsulfanyl)-1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]sulfanylethyl]ethanamide
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Formula C13H20N4O4S2
InChI InChI=1S/C13H20N4O4S2/c1-8(18)14-4-6-22-10-11(20)16-13(21)17(3)12(10)23-7-5-15-9(2)19/h4-7H2,1-3H3,(H,14,18)(H,15,19)(H,16,20,21)
InChIKey RYCCSXJRGHOMQP-UHFFFAOYSA-N
Molecular Weight 360.447 g/mol
SMILES N(C(=O)C)CCSC1=C(SCCNC(=O)C)N(C(NC1=O)=O)C
SPLASH splash10-000i-9001000000-50ff03e1a73c44f43ca5
Source of Spectrum J-63-6951-7
Wiley ID 1347994