| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cncnc1)C1=CC=CN(CCc2nc(oc2C)c2ccccc2)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C22H19N5O3/c1-15-19(26-21(30-15)16-6-3-2-4-7-16)9-11-27-10-5-8-18(22(27)29)20(28)25-17-12-23-14-24-13-17/h2-8,10,12-14H,9,11H2,1H3,(H,25,28) |
| InChIKey | InChI | 1.03 | PWKJVHWKTQIQLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCN2C=CC=C(C(=O)Nc3cncnc3)C2=O)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Cc1oc(nc1CCN2C=CC=C(C(=O)Nc3cncnc3)C2=O)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCN3C=CC=C(C3=O)C(=O)Nc4cncnc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCN3C=CC=C(C3=O)C(=O)Nc4cncnc4 |
