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1,3,7-trimethyl-8-[(2E)-2-(2-thienylmethylene)hydrazino]purine-2,6-dione
SpectraBase Compound ID BHU76V4APvy
InChI InChI=1S/C13H14N6O2S/c1-17-9-10(18(2)13(21)19(3)11(9)20)15-12(17)16-14-7-8-5-4-6-22-8/h4-7H,1-3H3,(H,15,16)/b14-7+
InChIKey FLUDJXMTDHADFD-VGOFMYFVSA-N
Mol Weight 318.36 g/mol
Molecular Formula C13H14N6O2S
Exact Mass 318.089895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gShua4alk
Name 1,3,7-trimethyl-8-[(2E)-2-(2-thienylmethylene)hydrazino]purine-2,6-dione
Alternate Name(s) 1,3,7-trimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]purine-2,6-dione 1,3,7-trimethyl-8-[(N'E)-N'-(2-thenylidene)hydrazino]xanthine
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Formula C13H14N6O2S
InChI InChI=1S/C13H14N6O2S/c1-17-9-10(18(2)13(21)19(3)11(9)20)15-12(17)16-14-7-8-5-4-6-22-8/h4-7H,1-3H3,(H,15,16)/b14-7+
InChIKey FLUDJXMTDHADFD-VGOFMYFVSA-N
Molecular Weight 318.355 g/mol
SMILES N(\N=C\c1sccc1)c1nc2c(C(=O)N(C(N2C)=O)C)[n]1C
SPLASH splash10-05o0-9575000000-7a717552713052763ddc
Source of Spectrum AH-134-570-7
Wiley ID 1546868