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Substance Name: Mdl 20828
RN: 98930-79-1
InChIKey: NKOFJXQHTGNBQI-VOTSOKGWSA-N

Molecular Weight

  • 393.418
 
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Names and Synonyms

Name of Substance

  • Mdl 20828

Synonym

  • Mdl-20828

Systematic Name

  • 2-Propenamide, N-(2-hydroxy-1-(((4-hydroxyphenyl)sulfinyl)methyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-

Registry Numbers

CAS Registry Number

  • 98930-79-1

System Generated Number

  • 0098930791

Structure Descriptors

InChI

1S/C17H19N3O6S/c1-10-14(16(24)20-17(25)18-10)6-7-15(23)19-11(8-21)9-27(26)13-4-2-12(22)3-5-13/h2-7,11,21-22H,8-9H2,1H3,(H,19,23)(H2,18,20,24,25)/b7-6+

InChIKey

NKOFJXQHTGNBQI-VOTSOKGWSA-N

Smiles

C(\C=C\c1c([nH]c([nH]c1C)=O)=O)(=O)N[C@@H](CO)C[S@@](=O)c1ccc(cc1)O