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4-AMINO-2-MERCAPTO-5-PYRIMIDINECARBOXYLIC ACID, ETHYL ESTER
SpectraBase Compound ID LNNfHkk495H
InChI InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
InChIKey DKTWKRWWQKVQQB-UHFFFAOYSA-N
Mol Weight 199.23 g/mol
Molecular Formula C7H9N3O2S
Exact Mass 199.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 342hvbwC3tF
Name 5-Pyrimidinecarboxylic acid, 4-amino-2,3-dihydro-2-thioxo-, ethyl ester
Alternate Name(s) 6-Amino-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate Ethyl 6-amino-2-thioxo-1H-pyrimidine-5-carboxylate Ethyl 6-azanyl-2-sulfanylidene-1H-pyrimidine-5-carboxylate
CAS Registry Number 774-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O2S
InChI InChI=1S/C7H9N3O2S/c1-2-12-6(11)4-3-9-7(13)10-5(4)8/h3H,2H2,1H3,(H3,8,9,10,13)
InChIKey DKTWKRWWQKVQQB-UHFFFAOYSA-N
Molecular Weight 199.228 g/mol
SMILES N1C(=C(C=NC1=S)C(OCC)=O)N
SPLASH splash10-0002-9800000000-a47e075f5da8c7f42230
Source of Spectrum IY-1-4406-5
Wiley ID 1652048