ZBC
Summary
| Name: | (2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE |
| Formula: | C7 H11 Br N3 O6 P |
| Formal charge: | 0 |
| Formula weight: | 344.057 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-(4-amino-5-bromo-2-oxopyrimidin-1(2H)-yl)-2-hydroxypropyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.6.1 | [(2S)-3-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-2-hydroxy-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C1Br |
| SMILES | CACTVS | 3.352 | NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=C1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)Br |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N)Br |
| InChI | InChI | 1.03 | InChI=1S/C7H11BrN3O6P/c8-5-2-11(7(13)10-6(5)9)1-4(12)3-17-18(14,15)16/h2,4,12H,1,3H2,(H2,9,10,13)(H2,14,15,16)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | VBQHVDIFDLFEIT-BYPYZUCNSA-N |
