HNZ
Summary
| Name: | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| Formula: | C25 H24 F3 N9 O |
| Formal charge: | 0 |
| Formula weight: | 523.513 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H24F3N9O/c1-16-5-6-17(21(38)31-19-4-2-3-18(14-19)25(26,27)28)13-20(16)32-22-33-23(36-10-7-29-8-11-36)35-24(34-22)37-12-9-30-15-37/h2-6,9,12-15,29H,7-8,10-11H2,1H3,(H,31,38)(H,32,33,34,35) |
| InChIKey | InChI | 1.03 | NMVJFOBGLWAPPI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
