7PD
Summary
| Name: | 2-aminopteridine-4,7(3H,8H)-dione |
| Synonyms: | isoxanthopterin |
| 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-aminopteridine-4,7(3H,8H)-dione |
| OpenEye OEToolkits | 2.0.6 | 2-azanyl-3,8-dihydropteridine-4,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2=NC=1C(=O)NC(=NC=1NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) |
| InChIKey | InChI | 1.03 | GLKCOBIIZKYKFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC2=C(N=CC(=O)N2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=NC2=C(N=CC(=O)N2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1=NC2=C(NC1=O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1=NC2=C(NC1=O)N=C(NC2=O)N |
