WYX
Summary
| Name: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| Formula: | C21 H24 N8 O |
| Formal charge: | 0 |
| Formula weight: | 404.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N8O/c1-27-17-6-4-3-5-16(17)20(30)28(2)18-12-23-21(26-19(18)27)25-14-11-24-29(13-14)15-7-9-22-10-8-15/h3-6,11-13,15,22H,7-10H2,1-2H3,(H,23,25,26) |
| InChIKey | InChI | 1.06 | LKOFXMLMYKWELM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)c2ccccc2N(C)c3nc(Nc4cnn(c4)C5CCNCC5)ncc13 |
| SMILES | CACTVS | 3.385 | CN1C(=O)c2ccccc2N(C)c3nc(Nc4cnn(c4)C5CCNCC5)ncc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4cnn(c4)C5CCNCC5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4cnn(c4)C5CCNCC5)C |
