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Ethyl 3-amino-4-oxo-2-thioxo-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(8H)-carboxylate
SpectraBase Compound ID HXdZhePI1bZ
InChI InChI=1S/C12H14N4O3S2/c1-2-19-12(18)15-4-3-6-7(5-15)21-9-8(6)10(17)16(13)11(20)14-9/h2-5,13H2,1H3,(H,14,20)
InChIKey IMDGPAINJDCOLT-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C12H14N4O3S2
Exact Mass 326.050733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PKYQV6iFXW
Name Ethyl 3-amino-4-oxo-2-thioxo-1,2,3,4,5,6-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(8H)-carboxylate
Appearance Colorless crystals
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Formula C12H14N4O3S2
InChI InChI=1S/C12H14N4O3S2/c1-2-19-12(18)15-4-3-6-7(5-15)21-9-8(6)10(17)16(13)11(20)14-9/h2-5,13H2,1H3,(H,14,20)
InChIKey IMDGPAINJDCOLT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3560
Molecular Weight 326.389 g/mol
Reported Formula C12H14N4O3S2
SMILES N1c2c(C(N(C1=S)N)=O)c1c(s2)CN(CC1)C(OCC)=O
SPLASH splash10-016s-5395000000-9396fee70d75aef0084f
Source of Spectrum Y-56-SM7-5
Wiley ID 1861194