| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)n1nc(Cc2cccc(O)c2)c3c(N)ncnc13 |
| SMILES | CACTVS | 3.341 | CC(C)(C)n1nc(Cc2cccc(O)c2)c3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O/c1-16(2,3)21-15-13(14(17)18-9-19-15)12(20-21)8-10-5-4-6-11(22)7-10/h4-7,9,22H,8H2,1-3H3,(H2,17,18,19) |
| InChIKey | InChI | 1.03 | QMAIQPBRCNEJAT-UHFFFAOYSA-N |
