TOF
Summary
| Name: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione |
| Synonyms: | Toxoflavin |
| Formula: | C7 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 193.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione |
| OpenEye OEToolkits | 1.7.0 | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N=C1C(=NC=NN1C)C(=O)N2C |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1N=CN=C2C(=O)N(C)C(=O)N=C12 |
| SMILES | CACTVS | 3.370 | CN1N=CN=C2C(=O)N(C)C(=O)N=C12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1C2=NC(=O)N(C(=O)C2=NC=N1)C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1C2=NC(=O)N(C(=O)C2=NC=N1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3 |
| InChIKey | InChI | 1.03 | SLGRAIAQIAUZAQ-UHFFFAOYSA-N |
