290
Summary
| Name: | 6-methyl-3,9-dihydro-2H-purin-2-one |
| Formula: | C6 H6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 150.138 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-methyl-3,9-dihydro-2H-purin-2-one |
| OpenEye OEToolkits | 1.5.0 | 6-methyl-3,9-dihydropurin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N=C(c1ncnc1N2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=NC(=O)Nc2[nH]cnc12 |
| SMILES | CACTVS | 3.341 | CC1=NC(=O)Nc2[nH]cnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=NC(=O)Nc2c1nc[nH]2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=NC(=O)Nc2c1nc[nH]2 |
| InChI | InChI | 1.03 | InChI=1S/C6H6N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2H,1H3,(H2,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | PTQIZCPBAIYYII-UHFFFAOYSA-N |
