JCL
Summary
| Name: | 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE |
| Formula: | C8 H12 Cl N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 298.617 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | 4-(4-chloro-2,6-dioxo-3H-pyrimidin-5-yl)butyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC1=C(C(=O)NC(=O)N1)CCCCOP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | O[P](O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H12ClN2O6P/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17-18(14,15)16/h1-4H2,(H2,14,15,16)(H2,10,11,12,13) |
| InChIKey | InChI | 1.03 | DAUATIBSDSXXHA-UHFFFAOYSA-N |
