| PDB CCD ID: | A1LYF |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C11 H14 N4 O2 |
| InChI: | InChI=1S/C11H14N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h3-6,9H,1-2H3,(H,12,13)(H,14,17)(H,15,16)/b8-3-/t9-/m0/s1 |
| InChIKey: | VFDJEJCELMPUBS-CHDHTGKKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)[C@H]1C(=O)N/C(=C\c2c[nH]cn2)/C(=O)N1 | | CACTVS 3.385 | CC(C)[C@@H]1NC(=O)\C(NC1=O)=C\c2c[nH]cn2 | | OpenEye OEToolkits 2.0.7 | CC(C)C1C(=O)NC(=Cc2c[nH]cn2)C(=O)N1 | | CACTVS 3.385 | CC(C)[CH]1NC(=O)C(NC1=O)=Cc2c[nH]cn2 |
|
| Name: | (3~{Z},6~{S})-3-(1~{H}-imidazol-4-ylmethylidene)-6-propan-2-yl-piperazine-2,5-dione |
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