Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(=C/C)C(=O)O)C |
SMILES_CANONICAL | CACTVS | 3.370 | C\C=C(N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)/C(O)=O |
SMILES | CACTVS | 3.370 | CC=C(N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC=C(C(=O)O)N=Cc1c(cnc(c1O)C)COP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C12H15N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h3-5,15H,6H2,1-2H3,(H,16,17)(H2,18,19,20)/b10-3+,14-5+ |
InChIKey | InChI | 1.03 | BBYSOXSBJOWRNU-VMTXVVAMSA-N |