Q44
Summary
| Name: | N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide |
| Formula: | C7 H7 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 193.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(6-oxo-6,9-dihydro-3H-purin-2-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(6-oxidanylidene-3,9-dihydropurin-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(N=C(NC(C)=O)Nc2c1ncn2)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14) |
| InChIKey | InChI | 1.03 | MXSMRDDXWJSGMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NC1=NC(=O)c2nc[nH]c2N1 |
| SMILES | CACTVS | 3.385 | CC(=O)NC1=NC(=O)c2nc[nH]c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=O)c2c([nH]cn2)N1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1=NC(=O)c2c([nH]cn2)N1 |
