TKG
Summary
| Name: | 1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone |
| Formula: | C10 H9 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 247.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(6-ethanoyl-4-oxidanylidene-3~{H}-pteridin-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18) |
| InChIKey | InChI | 1.03 | OMULKSTUKAPZMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NC1=Nc2ncc(nc2C(=O)N1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cnc2c(n1)C(=O)NC(=N2)NC(=O)C |
