| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N)C1CCN(C1)C(=O)Nc1cccnc1OC |
| InChI | InChI | 1.06 | InChI=1S/C12H16N4O3/c1-19-11-9(3-2-5-14-11)15-12(18)16-6-4-8(7-16)10(13)17/h2-3,5,8H,4,6-7H2,1H3,(H2,13,17)(H,15,18)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | IOCUHOZGYZOKAP-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ncccc1NC(=O)N2CC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ncccc1NC(=O)N2CC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccn1)NC(=O)N2CC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1c(cccn1)NC(=O)N2CCC(C2)C(=O)N |
