| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccccc1C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H13ClN4O3/c17-11-4-2-1-3-9(11)12(7-13(22)23)21-16(24)14-10-5-6-18-15(10)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | NDNYZXRFPQQRBS-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3Cl |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl |
