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5,5'-(1,4-phenylene)bis(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 IQi8SCdGEmP
InChI InChI=1S/C24H16N10O4S4/c35-17-9-7(10-14(28-22(40)32-18(10)36)25-13(9)27-21(39)31-17)5-1-2-6(4-3-5)8-11-15(29-23(41)33-19(11)37)26-16-12(8)20(38)34-24(42)30-16/h1-4,7-8H,(H5,25,27,28,31,32,35,36,39,40)(H5,26,29,30,33,34,37,38,41,42)
InChIKey AKEFWFVVGPINDJ-UHFFFAOYSA-N
Mol Weight 636.7 g/mol
Molecular Formula C24H16N10O4S4
Exact Mass 636.023884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H02uMxTSHJf
Name 5,5'-(1,4-phenylene)bis(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 C24H16N10O4S4
InChI InChI=1S/C24H16N10O4S4/c35-17-9-7(10-14(28-22(40)32-18(10)36)25-13(9)27-21(39)31-17)5-1-2-6(4-3-5)8-11-15(29-23(41)33-19(11)37)26-16-12(8)20(38)34-24(42)30-16/h1-4,7-8H,(H5,25,27,28,31,32,35,36,39,40)(H5,26,29,30,33,34,37,38,41,42)
InChIKey AKEFWFVVGPINDJ-UHFFFAOYSA-N
Molecular Weight 636.698 g/mol
SMILES N1C(C=2C(c3ccc(C4C=5C(NC(NC5NC5=C4C(NC(N5)=S)=O)=S)=O)cc3)C3=C(NC2NC1=S)NC(NC3=O)=S)=O
SPLASH splash10-052f-9642000000-9d109159b71a790157a8
Source of Spectrum Hossein Naeimi, et al. Journal of Molecular Structure, V.1137, 2017, P.626-633
Wiley ID 1816344