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2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid
SpectraBase Compound ID 1vHz0NRvck5
InChI InChI=1S/C10H7N3O3S2/c11-2-3-13-9(16)8-6(1-4-17-8)12-10(13)18-5-7(14)15/h1,4H,3,5H2,(H,14,15)
InChIKey BXAOPCMUDLLRCQ-UHFFFAOYSA-N
Mol Weight 281.3 g/mol
Molecular Formula C10H7N3O3S2
Exact Mass 280.992883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAeT6vJxuQM
Name 2-[3-(cyanomethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7N3O3S2
InChI InChI=1S/C10H7N3O3S2/c11-2-3-13-9(16)8-6(1-4-17-8)12-10(13)18-5-7(14)15/h1,4H,3,5H2,(H,14,15)
InChIKey BXAOPCMUDLLRCQ-UHFFFAOYSA-N
Molecular Weight 281.304 g/mol
SMILES OC(CSC1=Nc2c(C(N1CC#N)=O)scc2)=O
SPLASH splash10-014i-0980000000-c1646677ce59fcbe74e2
Source of Spectrum J-66-4726-7
Synonyms 2-[3-(cyanomethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid 2-[[3-(cyanomethyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid 2-[[3-(cyanomethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid
Wiley ID 1535517