| PDB CCD ID: | XTT |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H13 N7 O S |
| InChI: | InChI=1S/C13H13N7OS/c1-19-7-14-4-8(19)9-5-20(2-3-22-9)12-10-11(15-6-16-12)18-13(21)17-10/h4-7H,2-3H2,1H3,(H2,15,16,17,18,21) |
| InChIKey: | SKLGDFMOCQVDTN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cn1cncc1C2=CN(CCS2)c3c4c(ncn3)NC(=O)N4 | | CACTVS 3.385 | Cn1cncc1C2=CN(CCS2)c3ncnc4NC(=O)Nc34 | | ACDLabs 12.01 | Cn1cncc1C1=CN(CCS1)c1ncnc2NC(=O)Nc12 |
|
| Name: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one;
Aplithianine B |
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