| PDB CCD ID: | 6YG |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C19 H21 N5 O2 S |
| InChI: | InChI=1S/C19H21N5O2S/c1-26-19-20-9-13(10-21-19)11-24-6-2-4-14(12-24)18-22-15(8-17(25)23-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,22,23,25)/t14-/m0/s1 |
| InChIKey: | NVEPPHORIAFPBH-AWEZNQCLSA-N |
| SMILES: | COc1ncc(CN2CCC[C@@H](C2)c3nc(O)cc(n3)c4sccc4)cn1; COc1ncc(cn1)CN2CCCC(C2)c3nc(cc(n3)O)c4cccs4; COc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1; COc1ncc(CN2CCC[CH](C2)c3nc(O)cc(n3)c4sccc4)cn1; COc1ncc(cn1)CN2CCC[C@@H](C2)c3nc(cc(n3)O)c4cccs4 |
| Name: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol |
| ZINC: | ZINC000019572124 |
Reference: