CAS Registry Number 2268-14-6
Name:
6H-​Purin-​6-​one, 1,​9-​dihydro-​2-​(trifluoromethyl)​-
6H-Purin-6-one, 1,7-dihydro-2-(trifluoromethyl)- (9CI)
Hypoxanthine, 2-(trifluoromethyl)- (6CI,8CI)

Chemical Formula: C6H3F3N4O
Exact Mass: 204.03
Molecular Weight: 204.11
m/z: 204.03 (100.0%), 205.03 (6.6%), 205.02 (1.5%)

InChI: InChI=1S/C10H11FO2S/c1-13-7-14-9-4-2-8(3-5-9)10(12)6-11/h2-5H,6-7H2,1H3
InChIKey: DLVVMIWBCQMFHZ-UHFFFAOYSA-N
Canonical SMILES : COCSC1=CC=C(C=C1)C(=O)CF

Specification

98%

1. (2) Giner-Sorolla, Alfredo; Journal of the American Chemical Society 1958, V80, P5744-52 CAPLUS