| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(Nc1c(nnc1)c2nc3ccccc3n2)c4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4 |
| SMILES | CACTVS | 3.341 | O=C(Nc1c[nH]nc1c2[nH]c3ccccc3n2)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3 |
| InChI | InChI | 1.03 | InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23) |
| InChIKey | InChI | 1.03 | FPKSFXFWECAIBR-UHFFFAOYSA-N |
