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N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID KClyCdwXp1V
InChI InChI=1S/C16H19N5O3S2/c1-9-10(7-17)15(18-11(9)4-5-25-3)19-13(23)8-26-16-20-12(22)6-14(21-16)24-2/h6,18H,4-5,8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKey QDNUNTYVUWTOJZ-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C16H19N5O3S2
Exact Mass 393.092932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vevF54E1ad
Name N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
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Formula C16H19N5O3S2
InChI InChI=1S/C16H19N5O3S2/c1-9-10(7-17)15(18-11(9)4-5-25-3)19-13(23)8-26-16-20-12(22)6-14(21-16)24-2/h6,18H,4-5,8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKey QDNUNTYVUWTOJZ-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES [nH]1c(c(c(c1NC(CSC1=NC(OC)=CC(N1)=O)=O)C#N)C)CCSC
SPLASH splash10-01qa-6900000000-90c79caea6ca5bfc992e
Source of Spectrum IY-2-5026-7
Synonyms N-[3-cyano-4-methyl-5-[2-(methylthio)ethyl]-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide N-[3-cyano-4-methyl-5-(2-methylsulfanylethyl)-1H-pyrrol-2-yl]-2-[(4-methoxy-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Wiley ID 1658250