AZ8
Summary
| Name: | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
| Synonyms: | 1,6-didemethyltoxoflavin |
| Formula: | C5 H3 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 165.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
| OpenEye OEToolkits | 2.0.4 | 8~{H}-pyrimido[5,4-e][1,2,4]triazine-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12c(ncnn1)C(=O)NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C5H3N5O2/c11-4-2-3(8-5(12)9-4)10-7-1-6-2/h1H,(H2,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | IDJLTUNWTSUIHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)c2ncnnc2N1 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)c2ncnnc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1nc2c(nn1)NC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1nc2c(nn1)NC(=O)NC2=O |
