A1D7X
Summary
| Name: | 1-[4-[[[4-(isoquinolin-5-ylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]ethanone |
| Formula: | C21 H26 N8 O |
| Formal charge: | 0 |
| Formula weight: | 406.484 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[[[4-(isoquinolin-5-ylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H26N8O/c1-14(30)29-10-7-15(8-11-29)12-24-20-26-19(22-2)27-21(28-20)25-18-5-3-4-16-13-23-9-6-17(16)18/h3-6,9,13,15H,7-8,10-12H2,1-2H3,(H3,22,24,25,26,27,28) |
| InChIKey | InChI | 1.06 | JJMCMQQUUMRONK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(NCC2CCN(CC2)C(C)=O)nc(Nc3cccc4cnccc34)n1 |
| SMILES | CACTVS | 3.385 | CNc1nc(NCC2CCN(CC2)C(C)=O)nc(Nc3cccc4cnccc34)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)CNc2nc(nc(n2)Nc3cccc4c3ccnc4)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)CNc2nc(nc(n2)Nc3cccc4c3ccnc4)NC |
