| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H21N7/c1-2-4-16(5-3-1)12-17-13-23-21(24-14-17)28-10-8-27(9-11-28)20-18-6-7-22-19(18)25-15-26-20/h1-7,13-15H,8-12H2,(H,22,25,26) |
| InChIKey | InChI | 1.06 | KQPJIZNFZZDMAP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1c2ncc(Cc3ccccc3)cn2)c4ncnc5[nH]ccc45 |
| SMILES | CACTVS | 3.385 | C1CN(CCN1c2ncc(Cc3ccccc3)cn2)c4ncnc5[nH]ccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4c5cc[nH]c5ncn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4c5cc[nH]c5ncn4 |
