Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C)C(=O)O)C |
InChI | InChI | 1.03 | InChI=1S/C11H13N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,14H,2,5H2,1H3,(H,15,16)(H2,17,18,19)/b13-4+ |
InChIKey | InChI | 1.03 | BHIGINKEEFZJGX-YIXHJXPBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)C(O)=O)c1O |
SMILES | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=NC(=C)C(O)=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(=C)C(=O)O)O |