1RT
Summary
| Name: | 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid |
| Formula: | C5 H5 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 155.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-azanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C(N)C(C(=O)O)=CN1 |
| InChI | InChI | 1.03 | InChI=1S/C5H5N3O3/c6-3-2(4(9)10)1-7-5(11)8-3/h1H,(H,9,10)(H3,6,7,8,11) |
| InChIKey | InChI | 1.03 | BLQMCTXZEMGOJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)NC=C1C(O)=O |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)NC=C1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=NC(=O)N1)N)C(=O)O |
