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5-(pyridin-2-yl)-2,8-dithioxo-2,3,5,7,8,9,10,10a-octahydropyrido[2,3-d:6,5-d']dipyrimidine-4,6(1H,4aH)-dione
SpectraBase Compound ID A3q2ZpMG3oP
InChI InChI=1S/C14H12N6O2S2/c21-11-7-6(5-3-1-2-4-15-5)8-10(18-14(24)20-12(8)22)16-9(7)17-13(23)19-11/h1-4,6-7,9H,(H2,17,19,21,23)(H3,16,18,20,22,24)
InChIKey INAHXZKWUSKXQI-UHFFFAOYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C14H12N6O2S2
Exact Mass 360.046316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vxJOu36ODQ
Name 5-(pyridin-2-yl)-2,8-dithioxo-2,3,5,7,8,9,10,10a-octahydropyrido[2,3-d:6,5-d']dipyrimidine-4,6(1H,4aH)-dione
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Formula C14H12N6O2S2
InChI InChI=1S/C14H12N6O2S2/c21-11-7-6(5-3-1-2-4-15-5)8-10(18-14(24)20-12(8)22)16-9(7)17-13(23)19-11/h1-4,6-7,9H,(H2,17,19,21,23)(H3,16,18,20,22,24)
InChIKey INAHXZKWUSKXQI-UHFFFAOYSA-N
Molecular Weight 360.410 g/mol
SMILES N1C(C=2C(C3C(NC(NC3NC2NC1=S)=S)=O)c1ncccc1)=O
SPLASH splash10-004i-5791000000-be270d252631a64ea894
Source of Spectrum Hossein Naeimi, et al. Journal of Molecular Structure, V.1137, 2017, P.626-633
Wiley ID 1816342