XTN
Summary
| Name: | 2-amino-1,5-dihydropteridine-4,6-dione |
| Synonyms: | Xanthopterin |
| 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 | 2-amino-1,5-dihydropteridine-4,6-dione |
| OpenEye OEToolkits | 1.7.0 | 2-azanyl-1,5-dihydropteridine-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=NC2=C(N1)C(=O)N=C(N)N2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)C2=C(N1)N=CC(=O)N2 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)C2=C(N1)N=CC(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1=NC2=C(C(=O)N=C(N2)N)NC1=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1=NC2=C(C(=O)N=C(N2)N)NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13) |
| InChIKey | InChI | 1.03 | VURKRJGMSKJIQX-UHFFFAOYSA-N |
