A1IA6
Summary
| Name: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid |
| Formula: | C15 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 282.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10N2O4/c18-12-11(15(20)21)16-13(17-14(12)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,18H,(H,20,21)(H,16,17,19) |
| InChIKey | InChI | 1.06 | HQQIELXMZFSTOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)C3=NC(=C(C(=O)N3)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)C3=NC(=C(C(=O)N3)O)C(=O)O |
