| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccnc(N)c1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O2/c14-11-6-9(3-4-16-11)7-12(18)17-5-1-2-10(8-17)13(15)19/h3-4,6,10H,1-2,5,7-8H2,(H2,14,16)(H2,15,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | MKGWZERGGHSXDY-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccnc(N)c2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccnc(N)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc(cc1CC(=O)N2CCCC(C2)C(=O)N)N |
