| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1ccccc1n(c2)c4ncnc(Nc3ncc(OCCCN(C)C)cc3)c4 |
| InChI | InChI | 1.03 | InChI=1S/C21H23N7O/c1-27(2)10-5-11-29-16-8-9-19(22-13-16)26-20-12-21(24-14-23-20)28-15-25-17-6-3-4-7-18(17)28/h3-4,6-9,12-15H,5,10-11H2,1-2H3,(H,22,23,24,26) |
| InChIKey | InChI | 1.03 | VKUXBRRQHBTQPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCOc1ccc(Nc2cc(ncn2)n3cnc4ccccc34)nc1 |
| SMILES | CACTVS | 3.385 | CN(C)CCCOc1ccc(Nc2cc(ncn2)n3cnc4ccccc34)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)CCCOc1ccc(nc1)Nc2cc(ncn2)n3cnc4c3cccc4 |
