B56
Summary
| Name: | 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid |
| Formula: | C8 H9 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 223.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=NC=2N(CC(=NC1=2)C(=O)O)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CC(=NC2=C1N=C(N)NC2=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CN1CC(=NC2=C1N=C(N)NC2=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14) |
| InChIKey | InChI | 1.03 | LLLLJZKILITAII-UHFFFAOYSA-N |
