Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC=NC2=O |
SMILES | CACTVS | 3.341 | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC=NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@H]1N2C=CC=NC2=O)COP(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1N2C=CC=NC2=O)COP(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | KOQACCDGALTLCX-XLPZGREQSA-N |