Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1c(/C=N/CC(=O)O)c(cnc1C)COP(=O)(O)O |
InChI | InChI | 1.06 | InChI=1S/C10H13N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2-3,15H,4-5H2,1H3,(H,13,14)(H2,16,17,18)/b11-3+ |
InChIKey | InChI | 1.06 | HQEMYVORUPOKEX-QDEBKDIKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=NCC(O)=O)c1O |
SMILES | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=NCC(O)=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CC(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(=O)O)O |