| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12 |
| InChI | InChI | 1.06 | InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | DESZZRQUGKNYDX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](CNc1ncnc2nc[nH]c12)NC(=O)CC3CCCCC3 |
| SMILES | CACTVS | 3.385 | CC[CH](CNc1ncnc2nc[nH]c12)NC(=O)CC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CNc1c2c(nc[nH]2)ncn1)NC(=O)CC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CNc1c2c(nc[nH]2)ncn1)NC(=O)CC3CCCCC3 |
