AZA
Summary
| Name: | 8-AZAXANTHINE |
| Formula: | C4 H3 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 153.099 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| OpenEye OEToolkits | 1.5.0 | 3,4-dihydro-[1,2,3]triazolo[4,5-e]pyrimidine-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2Nc1nnnc1C(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1NC(=O)c2nn[nH]c2N1 |
| SMILES | CACTVS | 3.341 | O=C1NC(=O)c2nn[nH]c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c([nH]nn1)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c12c([nH]nn1)NC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C4H3N5O2/c10-3-1-2(8-9-7-1)5-4(11)6-3/h(H3,5,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | KVGVQTOQSNJTJI-UHFFFAOYSA-N |
