| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C(\c1ccccc1N2)=C4\C(=N\OCCC(O)CO)\c3ccccc3N4 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](O)CCO/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34 |
| SMILES | CACTVS | 3.341 | OC[CH](O)CCON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)/C(=C/3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc4N3)C(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C20H19N3O4/c24-11-12(25)9-10-27-23-18-14-6-2-4-8-16(14)21-19(18)17-13-5-1-3-7-15(13)22-20(17)26/h1-8,12,21,24-25H,9-11H2,(H,22,26)/b19-17-,23-18+/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | RKUMZEVCWKZXFV-YOCZKUTFSA-N |
