G0C
Summary
| Name: | [6-methyl-4-[(E)-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| Formula: | C12 H19 N2 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 334.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [6-methyl-4-[(~{E})-3-methylsulfanylpropyliminomethyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6-7,15H,3-5,8H2,1-2H3,(H2,16,17,18)/b13-7+ |
| InChIKey | InChI | 1.03 | BEOXZSCYUHRCGB-NTUHNPAUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CSCCCN=Cc1c(O)c(C)ncc1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCCSC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCSC)O |
