| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2nc1ccccc1n2)c5ccc(Oc4nccnc4N3CCOCC3)cc5 |
| InChI | InChI | 1.03 | InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26) |
| InChIKey | InChI | 1.03 | YWFDAAMTUBHJGI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3 |
| SMILES | CACTVS | 3.385 | O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 |
