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Substance Name: 6-Thiotheophylline
RN: 2398-70-1
InChIKey: FDDCBLYAEALGPZ-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N4-O-S

Molecular Weight

  • 196.2332
 
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Names and Synonyms

Name of Substance

  • 6-Thiotheophylline

Systematic Name

  • 2H-Purin-2-one, 1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo-

Registry Numbers

CAS Registry Number

  • 2398-70-1

System Generated Number

  • 0002398701

Structure Descriptors

InChI

1S/C7H8N4OS/c1-10-5-4(8-3-9-5)6(13)11(2)7(10)12/h3H,1-2H3,(H,8,9)

InChIKey

FDDCBLYAEALGPZ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=S)n(c1=O)C)[nH]cn2