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Substance Name: Theophylline, 7-(2-propynyl)-
RN: 14114-45-5
InChIKey: DKHAOCKWCMAXNV-UHFFFAOYSA-N

Molecular Formula

  • C10-H10-N4-O2

Molecular Weight

  • 218.215
 
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Names and Synonyms

Synonym

  • NSC 515504

Systematic Name

  • Theophylline, 7-(2-propynyl)-

Registry Numbers

CAS Registry Number

  • 14114-45-5

System Generated Number

  • 0014114455

Structure Descriptors

InChI

1S/C10H10N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h1,6H,5H2,2-3H3

InChIKey

DKHAOCKWCMAXNV-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CC#C)c2C1=O