| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3(C(=O)N)ccc1c(nc(n1)NCCN2CCOCC2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C14H19N5O2/c15-13(20)10-1-2-11-12(9-10)18-14(17-11)16-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,15,20)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | YAZZCCWYYDHQPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc2nc(NCCN3CCOCC3)[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1C(=O)N)[nH]c(n2)NCCN3CCOCC3 |
