W73
Summary
| Name: | 2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid |
| Formula: | C21 H16 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 360.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2,4-bis(oxidanylidene)-5-(2-phenanthren-9-ylethyl)-1H-pyrimidine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H16N2O4/c24-19-17(18(20(25)26)22-21(27)23-19)10-9-13-11-12-5-1-2-6-14(12)16-8-4-3-7-15(13)16/h1-8,11H,9-10H2,(H,25,26)(H2,22,23,24,27) |
| InChIKey | InChI | 1.03 | ALPWFSMWGPSLIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2cc3ccccc3c4ccccc24)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2cc3ccccc3c4ccccc24)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cc(c3c2cccc3)CCC4=C(NC(=O)NC4=O)C(=O)O |
