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5-(4-Chloro-3-nitrophenyl)-2,8-dithioxo-2,3,5,8,9,10-hexahydropyrido[2,3-d:6,5-d']dipyrimidine-4,6(1H,7H)-dione
SpectraBase Compound ID JPn6mtbW86E
InChI InChI=1S/C15H9ClN6O4S2/c16-5-2-1-4(3-6(5)22(25)26)7-8-10(18-14(27)20-12(8)23)17-11-9(7)13(24)21-15(28)19-11/h1-3,7H,(H5,17,18,19,20,21,23,24,27,28)
InChIKey BUYMRAHESMAWPJ-UHFFFAOYSA-N
Mol Weight 436.85 g/mol
Molecular Formula C15H9ClN6O4S2
Exact Mass 435.981523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cWodylsFG8
Name 5-(4-Chloro-3-nitrophenyl)-2,8-dithioxo-2,3,5,8,9,10-hexahydropyrido[2,3-d:6,5-d']dipyrimidine-4,6(1H,7H)-dione
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Formula C15H9ClN6O4S2
InChI InChI=1S/C15H9ClN6O4S2/c16-5-2-1-4(3-6(5)22(25)26)7-8-10(18-14(27)20-12(8)23)17-11-9(7)13(24)21-15(28)19-11/h1-3,7H,(H5,17,18,19,20,21,23,24,27,28)
InChIKey BUYMRAHESMAWPJ-UHFFFAOYSA-N
Molecular Weight 436.848 g/mol
SMILES N1C(C=2C(C=3C(NC(NC3NC2NC1=S)=S)=O)c1cc([N+](=O)[O-])c(cc1)Cl)=O
SPLASH splash10-05nf-9742000000-994973396d69f8c341db
Source of Spectrum Hossein Naeimi, et al. Journal of Molecular Structure, V.1137, 2017, P.626-633
Wiley ID 1816343