| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCCN1c2ccc(cc2)C(C(=O)/N=C3/N=NC(=C3)C4CC4)C |
| InChI | InChI | 1.03 | InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)/b20-16+/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JPAWNIKVRIVDBT-NABPABCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C(=O)N=C1C=C(N=N1)C2CC2)c3ccc(cc3)N4CCNC4=O |
| SMILES | CACTVS | 3.385 | C[CH](C(=O)N=C1C=C(N=N1)C2CC2)c3ccc(cc3)N4CCNC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3\C=C(N=N3)C4CC4 |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(c1ccc(cc1)N2CCNC2=O)C(=O)N=C3C=C(N=N3)C4CC4 |
