| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N#CCC(=O)N4CCCC(n3nnc2cnc1nccc1c23)C4 |
| InChI | InChI | 1.03 | InChI=1S/C15H15N7O/c16-5-3-13(23)21-7-1-2-10(9-21)22-14-11-4-6-17-15(11)18-8-12(14)19-20-22/h4,6,8,10H,1-3,7,9H2,(H,17,18)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | COGIAVJREKAVDL-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(CC#N)N1CCC[C@H](C1)n2nnc3cnc4[nH]ccc4c23 |
| SMILES | CACTVS | 3.370 | O=C(CC#N)N1CCC[CH](C1)n2nnc3cnc4[nH]ccc4c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c[nH]c2c1c3c(cn2)nnn3C4CCCN(C4)C(=O)CC#N |
