30W
Summary
| Name: | N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
| Synonyms: | Acetyl 6-formylpterin |
| Formula: | C9 H7 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 233.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
| OpenEye OEToolkits | 1.9.2 | N-(6-methanoyl-4-oxidanylidene-3H-pteridin-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C |
| InChI | InChI | 1.03 | InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17) |
| InChIKey | InChI | 1.03 | DDBCPKAHJKOGKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CC(=O)NC1=Nc2ncc(C=O)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1=Nc2c(nc(cn2)C=O)C(=O)N1 |
