| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(c3cccc(c2c(cc1c(nc(nc1N)N)c2)C)c3)C |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21) |
| InChIKey | InChI | 1.03 | OCMSAMCSELNFPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1cccc(c1)c2cc3nc(N)nc(N)c3cc2C |
| SMILES | CACTVS | 3.370 | CC(=O)c1cccc(c1)c2cc3nc(N)nc(N)c3cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N |
