| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1 |
| InChIKey | InChI | 1.03 | LTZKEDSUXKTTTC-KXQOOQHDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CC(CCN1)[C@@H](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8 |
| SMILES | CACTVS | 3.385 | C1CC(CCN1)[CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7nc6c8ccccc8 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2c3ccccc3nc2c4ccc(cc4)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2c3ccccc3nc2c4ccc(cc4)OCC(C5CCNCC5)n6c7ccccc7nc6c8ccccc8 |
