OG6
6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione
| Created: | 2023-02-01 |
| Last modified: | 2023-07-12 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 0 |
| Bond Count | 17 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione |
| Synonyms | 6-Formyl-uracil hydrate |
| Systematic Name (OpenEye OEToolkits) | 6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione |
| Formula | C5 H6 N2 O4 |
| Molecular Weight | 158.112 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | OC(O)C1=CC(=O)NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=O)NC1=O)C(O)O |
| Canonical SMILES | CACTVS | 3.385 | OC(O)C1=CC(=O)NC(=O)N1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1=C(NC(=O)NC1=O)C(O)O |
| InChI | InChI | 1.06 | InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11) |
| InChIKey | InChI | 1.06 | DUGHQFVNXIWPEA-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 50999464 |
| CCDC/CSD | TUPWEI |
