CAS Registry Number: 909562-81-8

Name:

7H-​Pyrrolo[2,​3-​d]​pyrimidine, 2-​chloro-​5-​methyl-
1H-​Pyrrolo[2,​3-​d]​pyrimidine, 2-​chloro-​5-​methyl- (9CI); 2-​Chloro-​5-​methyl-​7H-​pyrrolo[2,​3-​d]​pyrimidine 

Chemical Formula: C7H6ClN3
Exact Mass: 167.03
Molecular Weight: 167.60
m/z: 167.03 (100.0%), 169.02 (32.0%), 168.03 (7.6%), 170.03 (2.4%), 168.02 (1.1%)
Elemental Analysis: C, 50.17; H, 3.61; Cl, 21.15; N, 25.07

InChI: InChI=1S/C7H6ClN3/c1-4-2-9-6-5(4)3-10-7(8)11-6/h2-3H,1H3,(H,9,10,11)
InChIKey: VANYVMUNLQUYNO-UHFFFAOYSA-N
Canonical SMILES : CC1=CNC2=NC(=NC=C12)Cl

Specification

98%

PCT Int. Appl. (2007), WO 2007140222 A2 20071206.

Jpn. Kokai Tokkyo Koho (2006), JP 2006241089 A 20060914.