| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21 |
| InChI | InChI | 1.06 | InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | YUSKQHZYIKIRME-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](CNc1ncnc2[nH]cnc12)NC(=O)CCC3CCCCC3 |
| SMILES | CACTVS | 3.385 | CC[CH](CNc1ncnc2[nH]cnc12)NC(=O)CCC3CCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](CNc1c2c([nH]cn2)ncn1)NC(=O)CCC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CNc1c2c([nH]cn2)ncn1)NC(=O)CCC3CCCCC3 |
