| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnc(OC)cc1)c3c2nc(nc(N)c2ccc3)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 |
| SMILES | CACTVS | 3.370 | COc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1nc2c(cccc2C(=O)Nc3ccc(nc3)OC)c(n1)N |
| InChI | InChI | 1.03 | InChI=1S/C16H15N5O2/c1-9-19-14-11(15(17)20-9)4-3-5-12(14)16(22)21-10-6-7-13(23-2)18-8-10/h3-8H,1-2H3,(H,21,22)(H2,17,19,20) |
| InChIKey | InChI | 1.03 | IBOOEVQOPIWXHO-UHFFFAOYSA-N |
