Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(O)(=O)[C-](\N=C\c1c(c(ncc1COP(O)(O)=O)C)O)CO |
InChI | InChI | 1.03 | InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+ |
InChIKey | InChI | 1.03 | JFLJYKRWFQAEDK-QLKAYGNNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=N[C-](CO)C(O)=O)c1O |
SMILES | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=N[C-](CO)C(O)=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C-](CO)C(=O)O)O |