| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1OB(OC1)c2ccc(cc2)CCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCCc1ccc(cc1)B2OC[C@@H](CO)O2 |
| SMILES | CACTVS | 3.341 | NC(=N)NCCc1ccc(cc1)B2OC[CH](CO)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NCCc1ccc(cc1)B2OC[C@H](O2)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCc1ccc(cc1)B2OCC(O2)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZYCNKSJMJFKCBX-LLVKDONJSA-N |
