Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@H]2C[C@H](O)[C@@H](CN)O2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CC1=CN([CH]2C[CH](O)[CH](CN)O2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN)O |
InChI | InChI | 1.03 | InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | PYWLBQPICCQJFF-XLPZGREQSA-N |