CAS Registry Number: 16234-10-9

Name:

Thieno[3,​2-​d]​pyrimidin-​4(3H)​-​one
Thieno[3,​2-​d]​pyrimidin-​4(1H)​-​one (9CI); 1H-​Thieno[3,​2-​d]​pyrimidin-​4-​one; 3,​4-​Dihydrothieno[3,​2-​d]​pyrimidin-​4-​one; 3H-​Thieno[3,​2-​d]​pyrimidin-​4-​one; 4-​Hydroxythieno[3,​2-​d]​pyrimidine 

Deleted CAS Registry Numbers: 16285-​68-​0

Chemical Formula: C6H4N2OS
Exact Mass: 152.00
Molecular Weight: 152.17
m/z: 152.00 (100.0%), 153.01 (6.6%), 154.00 (4.6%), 153.00 (1.5%)

InChI: InChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
InChIKey: PZMKGWRBZNOIPQ-UHFFFAOYSA-N
Canonical SMILES : C1=CSC2=C1NC=NC2=O

Specification

98%

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2. (2) Mitchell, Ian S.; WO 2005051304 A2 2005 CAPLUS
3. (3) Robba, Max; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques 1967, V264(1), P100-2 CAPLUS
4. (4) Song, Yang-Heon; Heterocyclic Communications 2007, V13(1), P33-34 CAPLUS
5. (5) Peng, Jinsong; Journal of Combinatorial Chemistry 2007, V9(3), P431-436 CAPLUS