7-(2-Cyanoethyl)-theophylline

For research use only. Not for therapeutic Use.

  • CAT Number: R036593
  • CAS Number: 1811-38-7
  • Molecular Formula: C10H11N5O2
  • Molecular Weight: 233.231
  • Purity: ≥95%
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Catalog Number R036593
CAS Number 1811-38-7
Synonyms

1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanenitrile; 3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)propanenitrile?

Molecular Formula C10H11N5O2
Purity ≥95%
Storage -20°C
IUPAC Name 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile
InChI InChI=1S/C10H11N5O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3,5H2,1-2H3
InChIKey KAVJVVVIFOIZKM-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC#N

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