TVJ
Summary
| Name: | [6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| Formula: | C10 H13 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 332.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N4O7P/c1-5-8(15)7(3-13-14-10(17)9(11)16)6(2-12-5)4-21-22(18,19)20/h2-3,15H,4H2,1H3,(H2,11,16)(H,14,17)(H2,18,19,20)/b13-3+ |
| InChIKey | InChI | 1.06 | QXOGMDGTZNDNSY-QLKAYGNNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O)C(N)=O)c1O |
| SMILES | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)C(N)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)C(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)C(=O)N)O |
