ZR9
Summary
| Name: | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
| Formula: | C9 H6 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.155 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,4-bis(oxidanylidene)-1~{H}-quinazoline-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2NC(=O)NC(=O)c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15) |
| InChIKey | InChI | 1.06 | FDJXVHKCNJIHTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)NC(=O)c2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2NC(=O)NC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)C(=O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C(=O)O)C(=O)NC(=O)N2 |
