A1EMK
Summary
| Name: | 2-azanyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid |
| Formula: | C5 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 143.144 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-2-azanyl-1,4,5,6-tetrahydropyrimidine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8) |
| InChIKey | InChI | 1.06 | PZWMQJZDDYQYGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC[C@@H](CN1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC1=NC[CH](CN1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](CN=C(N1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(CN=C(N1)N)C(=O)O |
