DOR
Summary
| Name: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID |
| Synonyms: | DIHYDROOROTIC ACID |
| Formula: | C5 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 158.112 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1NC(=O)NC(=O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CC(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH]1CC(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](NC(=O)NC1=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(NC(=O)NC1=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | UFIVEPVSAGBUSI-REOHCLBHSA-N |
