5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester

CAS Registry Number®

776-53-4
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CAS Name

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester

Molecular Formula

C8H11N3O2S

Molecular Mass

213.26

Cite this Page

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=776-53-4 (retrieved 2024-05-19) (CAS RN: 776-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-128 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)

InChIKey

InChIKey=QINRQIZOBCQKAZ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C(N)=NC(SC)=NC1

Canonical SMILES

O=C(OCC)C1=CN=C(N=C1N)SC

Other Names for this Substance

  • 5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
  • 4-Amino-2-methanethiopyrimidine-5-carboxylic acid ethyl ester
  • Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate
  • NSC 9310
  • Ethyl 4-amino-2-methylsulfanyl-5-pyrimidinecarboxylate

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