| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C17H16N4O3/c1-10(17(23)24)13(11-5-3-2-4-6-11)21-16(22)14-12-7-8-18-15(12)20-9-19-14/h2-10,13H,1H3,(H,21,22)(H,23,24)(H,18,19,20)/t10-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | BMKUHSLLVIXDSE-MFKMUULPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([C@H](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]([C@@H](c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O |
