| PDB CCD ID: | R9L |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H13 F N4 O2 S |
| InChI: | InChI=1S/C14H13FN4O2S/c15-9-1-2-10-11(3-9)19-14-12(10)13(17-7-18-14)16-4-8-5-22(20,21)6-8/h1-3,7-8H,4-6H2,(H2,16,17,18,19) |
| InChIKey: | JVQPJNYREDESAV-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(cc1F)[nH]c3c2c(ncn3)NCC4CS(=O)(=O)C4 | | ACDLabs 12.01 | O=S1(=O)CC(CNc2ncnc3[NH]c4cc(F)ccc4c23)C1 | | CACTVS 3.385 | Fc1ccc2c([nH]c3ncnc(NCC4C[S](=O)(=O)C4)c23)c1 |
|
| Name: | 3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione |
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