| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1OCCC11CCCN1c1ncnc2[NH]ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H14N4O2/c18-12-13(4-7-19-12)3-1-6-17(13)11-9-2-5-14-10(9)15-8-16-11/h2,5,8H,1,3-4,6-7H2,(H,14,15,16)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | QTYPXUSKADANKN-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OCC[C@@]12CCCN2c3ncnc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | O=C1OCC[C]12CCCN2c3ncnc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCC[C@@]34CCOC4=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)N3CCCC34CCOC4=O |
