93416-51-4 Purity
96%
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The molecular formula of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is C13H11N3O2S.
The synonyms of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine are SCHEMBL2241097.
The molecular weight of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 273.31 g/mol.
7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine was created on November 30, 2012, and modified on December 30, 2023.
The IUPAC name of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 7-(4-methylphenyl)sulfonylpyrrolo[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.
The InChIKey of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is UJEAGOFUWHADMG-UHFFFAOYSA-N.
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.
The XLogP3-AA value of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 2.2.
The hydrogen bond donor count of 7-Tosyl-7H-pyrrolo[2,3-d]pyrimidine is 0.
Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2007/41130, 2007, A2
Location in patent: Page/Page column 40-41; Sheet 1/9
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.