JP2
Summary
| Name: | 2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid |
| Formula: | C7 H5 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 207.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-oxo-1,4-dihydropteridine-7-carboxylic acid |
| OpenEye OEToolkits | 1.7.0 | 2-azanyl-4-oxo-1H-pteridine-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1nc2c(nc1)C(=O)N=C(N)N2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(O)=O |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)9-1-2(10-4)6(14)15/h1H,(H,14,15)(H3,8,10,11,12,13) |
| InChIKey | InChI | 1.03 | NZLJLZVXWBEGCE-UHFFFAOYSA-N |
