| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCN(C)C(=O)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H14N4O3/c1-16(6-2-3-9(17)18)12(19)10-8-4-5-13-11(8)15-7-14-10/h4-5,7H,2-3,6H2,1H3,(H,17,18)(H,13,14,15) |
| InChIKey | InChI | 1.06 | LEKMKDGQMQYONU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCCC(O)=O)C(=O)c1ncnc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | CN(CCCC(O)=O)C(=O)c1ncnc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)O)C(=O)c1c2cc[nH]c2ncn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)O)C(=O)c1c2cc[nH]c2ncn1 |
