CAS Registry Number: 365996-87-8

Name:

6H-​Pyrrolo[3,​4-​d]​pyrimidine-​6-​carboxylic acid, 5,​7-​dihydro-​2-​(methylsulfonyl)​-​, 1,​1-​dimethylethyl ester

Chemical Formula: C12H17N3O4S
Exact Mass: 299.09
Molecular Weight: 299.35
m/z: 299.09 (100.0%), 300.10 (13.3%), 301.09 (4.7%), 300.09 (1.9%), 301.10 (1.8%)

InChI: InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3
InChIKey: OWHKZXFLURWFDL-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)S(=O)(=O)C

Specification

98%

PCT Int. Appl. (2012), WO 2012019426 A1 20120216.                                 

PCT Int. Appl. (2006), WO 2006127530 A2 20061130.