85W
Summary
| Name: | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1H-pyrimidin-6-one |
| Synonyms: | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one |
| Formula: | C14 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 286.24 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-oxidanyl-2-[4,5,7-tris(oxidanyl)naphthalen-2-yl]-1~{H}-pyrimidin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H10N2O5/c17-8-2-6-1-7(3-9(18)12(6)10(19)4-8)13-15-5-11(20)14(21)16-13/h1-5,17-20H,(H,15,16,21) |
| InChIKey | InChI | 1.06 | ZRYLCHISGNOMOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3 |
| SMILES | CACTVS | 3.385 | Oc1cc(O)c2c(O)cc(cc2c1)C3=NC=C(O)C(=O)N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2cc(cc(c2c(cc1C3=NC=C(C(=O)N3)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2cc(cc(c2c(cc1C3=NC=C(C(=O)N3)O)O)O)O |
