| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N)c1cc2c(nc(nc2nc1N)C(C)(C)C)c3cccn3 |
| InChI | InChI | 1.03 | InChI=1S/C16H18N6O/c1-16(2,3)15-20-11(10-5-4-6-19-10)8-7-9(13(18)23)12(17)21-14(8)22-15/h4-7,19H,1-3H3,(H2,18,23)(H2,17,20,21,22) |
| InChIKey | InChI | 1.03 | QZUNGZQACLCXSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1nc2nc(N)c(cc2c(n1)c3[nH]ccc3)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1nc2nc(N)c(cc2c(n1)c3[nH]ccc3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1nc(c2cc(c(nc2n1)N)C(=O)N)c3ccc[nH]3 |
