| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCCN1Nc1cc(ncn1)Nc1cc2cn[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H15N7O/c23-15-2-1-5-22(15)21-14-7-13(16-9-17-14)19-11-3-4-12-10(6-11)8-18-20-12/h3-4,6-9H,1-2,5H2,(H,18,20)(H2,16,17,19,21) |
| InChIKey | InChI | 1.06 | IBRWQZLZGHZPSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCN1Nc2cc(Nc3ccc4[nH]ncc4c3)ncn2 |
| SMILES | CACTVS | 3.385 | O=C1CCCN1Nc2cc(Nc3ccc4[nH]ncc4c3)ncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Nc3cc(ncn3)NN4CCCC4=O)cn[nH]2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Nc3cc(ncn3)NN4CCCC4=O)cn[nH]2 |
