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1,3-bis[N'-(Thiazol-2"-yl)malonamido]-5-nitro-hexahydropyrimidine]
SpectraBase Compound ID 1apjV9vpR7h
InChI InChI=1S/C16H19N9O6S2/c26-11(19-15-17-1-3-32-15)5-13(28)21-23-7-10(25(30)31)8-24(9-23)22-14(29)6-12(27)20-16-18-2-4-33-16/h1-4,10H,5-9H2,(H,21,28)(H,22,29)(H,17,19,26)(H,18,20,27)
InChIKey LDQQEMFMTOQHEZ-UHFFFAOYSA-N
Mol Weight 497.51 g/mol
Molecular Formula C16H19N9O6S2
Exact Mass 497.089972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FuqxliqclK
Name 1,3-bis[N'-(Thiazol-2"-yl)malonamido]-5-nitro-hexahydropyrimidine]
Comments Less than 3 mono-isotopic peaks
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Formula C16H19N9O6S2
InChI InChI=1S/C16H19N9O6S2/c26-11(19-15-17-1-3-32-15)5-13(28)21-23-7-10(25(30)31)8-24(9-23)22-14(29)6-12(27)20-16-18-2-4-33-16/h1-4,10H,5-9H2,(H,21,28)(H,22,29)(H,17,19,26)(H,18,20,27)
InChIKey LDQQEMFMTOQHEZ-UHFFFAOYSA-N
Molecular Weight 497.505 g/mol
SMILES N(C(CC(Nc1nccs1)=O)=O)N1CC(CN(C1)NC(CC(Nc1nccs1)=O)=O)N(=O)=O
SPLASH splash10-0a4i-9000000000-50cd8ae07345453a11ce
Source of Spectrum AH-139-1087-3
Synonyms N'-[3-[[1,3-dioxo-3-(2-thiazolylamino)propyl]amino]-5-nitro-1,3-diazinan-1-yl]-N-(2-thiazolyl)propanediamide N'-[5-nitro-3-[[3-oxo-3-(1,3-thiazol-2-ylamino)propanoyl]amino]-1,3-diazinan-1-yl]-N-(1,3-thiazol-2-yl)propanediamide N'-[5-nitro-3-[[3-oxo-3-(thiazol-2-ylamino)propanoyl]amino]hexahydropyrimidin-1-yl]-N-thiazol-2-yl-propanediamide N'-[5-nitro-3-[[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propanoyl]amino]-1,3-diazinan-1-yl]-N-(1,3-thiazol-2-yl)propanediamide
Wiley ID 1695748