| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23 |
| InChI | InChI | 1.06 | InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+ |
| InChIKey | InChI | 1.06 | UOHBXOSUOAWUJS-VFODATLMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCC(=N)C1=NC(=C\c2c[nH]c3ccccc23)/C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CCC(=N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\CCC(=O)N)/C1=N/C(=C\c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)C(=N)CCC(=O)N)CC(=O)O |
