| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cccc(c1)n2c6ccccc6nc2c5nc(c3cn(nc3)C4CCN(C)CC4)cnc5N)CC |
| InChI | InChI | 1.03 | InChI=1S/C29H31N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h4-10,15-18,21H,3,11-14H2,1-2H3,(H2,30,31)(H,33,39) |
| InChIKey | InChI | 1.03 | KKUKNIKTWVWHBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4nc(cnc4N)c5cnn(c5)C6CCN(C)CC6 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4nc(cnc4N)c5cnn(c5)C6CCN(C)CC6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1cccc(c1)n2c3ccccc3nc2c4c(ncc(n4)c5cnn(c5)C6CCN(CC6)C)N |
