W7B
Summary
| Name: | 5-[2-(naphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid |
| Formula: | C17 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 310.304 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 5-(2-naphthalen-1-ylethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O4/c20-15-13(14(16(21)22)18-17(23)19-15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H,21,22)(H2,18,19,20,23) |
| InChIKey | InChI | 1.03 | SLNOQVWHLSWYRT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc3ccccc23)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cccc2CCC3=C(NC(=O)NC3=O)C(=O)O |
