Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=C(N)C=CN1C2OC(C(O)C2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2 |
SMILES | CACTVS | 3.341 | NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC(=NC2=O)N)CO)O |
InChI | InChI | 1.03 | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 |
InChIKey | InChI | 1.03 | CKTSBUTUHBMZGZ-SHYZEUOFSA-N |