141
Summary
| Name: | Oxypurinol |
| Synonyms: | Alloxanthine |
| Formula: | C5 H4 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 152.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione |
| OpenEye OEToolkits | 1.7.6 | 1,2-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N=C2C(C(=O)N1)=CNN2 |
| InChI | InChI | 1.03 | InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | HXNFUBHNUDHIGC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C2=CNNC2=N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)C2=CNNC2=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C2C(=NC(=O)NC2=O)NN1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C2C(=NC(=O)NC2=O)NN1 |
