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Structure

7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine

CAS
934178-97-9
Catalog Number
ACM934178979
Category
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What is the molecular formula of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The molecular formula of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is C13H11N3O2S.

What are the synonyms of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The synonyms of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine are SCHEMBL2241097.

What is the molecular weight of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The molecular weight of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 273.31 g/mol.

When was 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine created and modified in PubChem?

7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine was created on November 30, 2012, and modified on December 30, 2023.

What is the IUPAC name of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.

What is the InChI of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The InChI of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is InChI=1S/C13H11N3O2S/c1-10-2-4-12(5-3-10)19(17,18)16-7-6-11-8-14-9-15-13(11)16/h2-9H,1H3.

What is the InChIKey of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is UJEAGOFUWHADMG-UHFFFAOYSA-N.

What is the Canonical SMILES of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The Canonical SMILES of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CN=CN=C32.

What is the XLogP3-AA value of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The XLogP3-AA value of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 2.2.

What is the hydrogen bond donor count of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine?

The hydrogen bond donor count of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 0.

Upstream Synthesis Route 1

  • 934178-96-8
  • 73183-34-3
  • 934178-97-9

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2007/41130, 2007, A2
Location in patent: Page/Page column 40-41; Sheet 1/9

Downstream Synthesis Route 1

  • 934179-27-8
  • 934178-97-9
  • 934179-28-9

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2007/41130, 2007, A2
Location in patent: Page/Page column 53-54; Sheet 8/9

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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