| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nc(no1)c3c2ccnc2ccc3)NCCCOC |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4O3/c1-21-9-3-7-17-14(20)15-18-13(19-22-15)11-4-2-5-12-10(11)6-8-16-12/h2,4-6,8,16H,3,7,9H2,1H3,(H,17,20) |
| InChIKey | InChI | 1.03 | BPSPJIVDNLKGAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCNC(=O)c1onc(n1)c2cccc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | COCCCNC(=O)c1onc(n1)c2cccc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3 |
