| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n2c1c(ncn1)c(nc2)NC(Cc3ccccc3)CO |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5O/c20-7-11(6-10-4-2-1-3-5-10)19-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,11,20H,6-7H2,(H2,15,16,17,18,19)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | KOHQRNQTKFJUQF-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](Cc1ccccc1)Nc2ncnc3[nH]cnc23 |
| SMILES | CACTVS | 3.385 | OC[CH](Cc1ccccc1)Nc2ncnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H](CO)Nc2c3c([nH]cn3)ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC(CO)Nc2c3c([nH]cn3)ncn2 |
