| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc4cc(c3nnc2ccc(c1ncnn1)cc23)ccc4)c5occc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Nc1cccc(c1)c2n[nH]c3ccc(cc23)c4n[nH]cn4)c5occc5 |
| SMILES | CACTVS | 3.341 | O=C(Nc1cccc(c1)c2n[nH]c3ccc(cc23)c4n[nH]cn4)c5occc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5 |
| InChI | InChI | 1.03 | InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26) |
| InChIKey | InChI | 1.03 | LMDMJDCLPIVGQD-UHFFFAOYSA-N |
