| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CC2CCC1CN(C2)c1ncnc2nc[NH]c21 |
| InChI | InChI | 1.06 | InChI=1S/C14H17N5O2/c20-14(21)10-3-8-1-2-9(10)5-19(4-8)13-11-12(16-6-15-11)17-7-18-13/h6-10H,1-5H2,(H,20,21)(H,15,16,17,18)/t8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.06 | QXWCPCWNFDNBBL-OPRDCNLKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@H]2CC[C@@H]1CN(C2)c3ncnc4nc[nH]c34 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH]2CC[CH]1CN(C2)c3ncnc4nc[nH]c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)ncnc2N3C[C@@H]4CC[C@H](C3)[C@@H](C4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1[nH]c2c(n1)ncnc2N3CC4CCC(C3)C(C4)C(=O)O |
