| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1 |
| InChI | InChI | 1.03 | InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3 |
| InChIKey | InChI | 1.03 | LZSJDIJDPXKCTH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1n2cc(nc(Cc3ccccc3)c2nc1Cc4occc4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | COc1n2cc(nc(Cc3ccccc3)c2nc1Cc4occc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(nc2n1cc(nc2Cc3ccccc3)c4ccccc4)Cc5ccco5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(nc2n1cc(nc2Cc3ccccc3)c4ccccc4)Cc5ccco5 |
