| PDB CCD ID: | ZS0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H9 F N4 O S |
| InChI: | InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19) |
| InChIKey: | GMNQNGTVFNOHLD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1 | | OpenEye OEToolkits 1.9.2 | c1cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F | | ACDLabs 12.01 | Fc1ccc(cc1)CN3c2ncnc2C(=O)NC3=S |
|
| Name: | 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE |
| ChEMBL: | CHEMBL5200638 |
| ZINC: | ZINC000038681305 |
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