Dimethoxyphosphoryl-ethyl-methyl-tetrahydro-purine-dione-Cpd2
found in-silico not evaluated in vitro
General
Type : Purine, Organophosphate, Imidazole
Chemical_Nomenclature : (4R,5S)-3-[2-(Dimethoxyphosphoryl)ethyl]-7-methyl-3,4,5,7-tetrahydro-2H-purine-2,6(1H)-dione
Canonical SMILES : COP(=O)(CCN1C(=O)NC(=O)[C@@H]2[C@@H]1N=CN2C)OC
InChI : InChI=1S\/C10H17N4O5P\/c1-13-6-11-8-7(13)9(15)12-10(16)14(8)4-5-20(17,18-2)19-3\/h6-8H,4-5H2,1-3H3,(H,12,15,16)\/t7-,8+\/m0\/s1
InChIKey : JQFSDPDYOQTXMT-JGVFFNPUSA-N
Other name(s) : Dimethyl (2-5-methyl-4,6-dioxo-1,3a,4,6atetrahydroimidazo [4,5-d] imidazol-5-yl ethyl) phosphonate
Target
References (1)
| Title : MAISNet: A Multi-Species Integrated Graph Neural Network for Acetylcholinesterase Inhibitor Screening - Shao_2026_Bioinformatics__ |
| Author(s) : Shao D , Liang S , Xiong Y , Liang G |
| Ref : Bioinformatics , : , 2026 |
| Abstract : |
| PubMedSearch : Shao_2026_Bioinformatics__ |
| PubMedID: 41984821 |