AZ9
Summary
| Name: | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
| Synonyms: | 1-demethyltoxoflavin |
| Formula: | C6 H5 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 179.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione |
| OpenEye OEToolkits | 2.0.4 | 6-methyl-8~{H}-pyrimido[5,4-e][1,2,4]triazine-5,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21nncnc1C(N(C)C(N2)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H5N5O2/c1-11-5(12)3-4(9-6(11)13)10-8-2-7-3/h2H,1H3,(H,9,10,13) |
| InChIKey | InChI | 1.03 | ZLLAXLPOOMLVRF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)Nc2nncnc2C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)Nc2nncnc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1C(=O)c2c(nncn2)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1C(=O)c2c(nncn2)NC1=O |
