1LD
Summary
| Name: | 5-fluorocytosine |
| Synonyms: | 4-amino-5-fluoropyrimidin-2(1H)-one |
| Formula: | C4 H4 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 129.092 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-5-fluoropyrimidin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-5-fluoranyl-1H-pyrimidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC1=CNC(=O)N=C1N |
| InChI | InChI | 1.03 | InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) |
| InChIKey | InChI | 1.03 | XRECTZIEBJDKEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)NC=C1F |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)NC=C1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1)N)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1)N)F |
