Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI9B3S
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| Ligand Name |
3-Butyl-8-[(6-Butyl-5,7-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-Yl)sulfanylmethyl]-7-Ethyl-Purine-2,6-Dione
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| Synonyms |
CHEMBL3774931; 3-Butyl-8-[(6-Butyl-5,7-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-2-Yl)sulfanylmethyl]-7-Ethyl-Purine-2,6-Dione; SCHEMBL19066319; BDBM50150069; ZINC68716836; AKOS008738479; J3.601.437G; EN300-26787490; Q27455888; Z642854042; 1389924-03-1; 3-Butyl-7-ethyl-8-(5,7-dimethyl-6-butyl[1,2,4]triazolo[1,5-a]pyrimidine-2-ylthiomethyl)-1,2,3,6-tetrahydro-7H-purine-2,6-dione; 3-butyl-8-[({6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)methyl]-7-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
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| Structure |
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Download2D MOL |
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| Formula |
C23H32N8O2S
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| Canonical SMILES |
CCCCC1=C(N2C(=NC(=N2)SCC3=NC4=C(N3CC)C(=O)NC(=O)N4CCCC)N=C1C)C
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| InChI |
1S/C23H32N8O2S/c1-6-9-11-16-14(4)24-21-27-22(28-31(21)15(16)5)34-13-17-25-19-18(29(17)8-3)20(32)26-23(33)30(19)12-10-7-2/h6-13H2,1-5H3,(H,26,32,33)
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| InChIKey |
FTDVJTZJKKOHSY-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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