| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(C(=O)C(N)=C1C)c(c3n2CC(N)C3)COC(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(N)C(=O)c2c(COC(N)=O)c3C[C@@H](N)Cn3c2C1=O |
| SMILES | CACTVS | 3.341 | CC1=C(N)C(=O)c2c(COC(N)=O)c3C[CH](N)Cn3c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3)N)COC(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(=O)c2c(c3n(c2C1=O)CC(C3)N)COC(=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O4/c1-5-10(16)13(20)9-7(4-22-14(17)21)8-2-6(15)3-18(8)11(9)12(5)19/h6H,2-4,15-16H2,1H3,(H2,17,21)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | SMCLMIIQNWUTHU-ZCFIWIBFSA-N |
