Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3C(O)C(n1c2ncnc(c2nc1)N)CC3CO |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[C@@H]3C[C@H](CO)C(=O)[C@H]3O |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cnc12)[CH]3C[CH](CO)C(=O)[CH]3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc(c2c(n1)n(cn2)C3CC(C(=O)C3O)CO)N |
InChI | InChI | 1.03 | InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,9,17,19H,1-2H2,(H2,12,13,14)/t5-,6-,9+/m1/s1 |
InChIKey | InChI | 1.03 | CWNCBQJCRSRXGI-KCRUCZTKSA-N |