| PDB CCD ID: | 51B |
| Number of entries in FURNA: | 2 |
| Chemical formula: | C19 H22 N6 O S |
| InChI: | InChI=1S/C19H22N6OS/c1-20-19-21-9-13(10-22-19)11-25-6-2-4-14(12-25)18-23-15(8-17(26)24-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,20,21,22)(H,23,24,26)/t14-/m0/s1 |
| InChIKey: | ZSXCVAIJFUEGJR-AWEZNQCLSA-N |
| SMILES: | CNc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1; CNc1ncc(cn1)CN2CCC[C@@H](C2)c3nc(cc(n3)O)c4cccs4; CNc1ncc(CN2CCC[CH](C2)c3nc(O)cc(n3)c4sccc4)cn1; CNc1ncc(cn1)CN2CCCC(C2)c3nc(cc(n3)O)c4cccs4; CNc1ncc(CN2CCC[C@@H](C2)c3nc(O)cc(n3)c4sccc4)cn1 |
| Name: | (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol |
| ZINC: | ZINC000019592386 |
Reference: